chempirical

Acpd

C7H11NO4CAS 39026-63-6173.17 g/mol

Open in Covalent MOL file
H2NOHOOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H11NO4
Molar mass
173.17 g/mol
Exact mass
173.0688 Da
logP
-0.35Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
39026-63-6
SMILES
N[C@]1(C(=O)O)CC[C@H](C(=O)O)C1
InChIKey
YFYNOWXBIBKGHB-OHAROVNANA-N
InChI
InChI=1/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1R,3S)-rel-
  • 1,3-Cyclopentanedicarboxylic acid, 1-amino-, cis-
  • Rel-(1R,3S)-1-Amino-1,3-cyclopentanedicarboxylic acid
  • cis-1-Amino-1,3-dicarboxycyclopentane
  • trans-ACPD
  • 1-Amino-trans-1,3-dicarboxycyclopentane
  • 1-Amino-trans-1,3-cyclopentanedicarboxylic acid
  • (±)-trans-1-Amino-1,3-dicarboxycyclopentane
  • (±)-trans-1-Aminocyclopentyl-1,3-dicarboxylic acid
  • (±)-1-Aminocyclopentane-trans-1,3-dicarboxylic acid
  • trans-(±)-1-Amino-1,3-cyclopentanedicarboxylic acid
  • (±)-trans-ACPD
  • (±)-cis-1-Amino-1,3-dicarboxycyclopentane
  • DL-cis-1-Amino-1,3-dicarboxycyclopentane
  • NSC 27386
  • trans-(±)-ACPD
  • trans-1-Amino-1,3-cyclopentanedicarboxylic acid

Work with Acpd

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Aminocyclopropane-1-carboxylic acid22059-21-852 % similar 1-Aminocyclobutanecarboxylic acid22264-50-248 % similar Cycloleucine52-52-848 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-548 % similar 1-Aminocyclohexanecarboxylic acid2756-85-647 % similar 4,4-Difluorocyclohexanecarboxylic acid122665-97-844 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-044 % similar Cyclopentanecarboxylic acid3400-45-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Oxaceprol33996-33-7 trans-1-Amino-1,3-cyclopentanedicarboxylic acid39026-64-7

Elsewhere

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