chempirical

H-Beta-ala-otbu hcl

C7H16ClNO2CAS 58620-93-2181.66 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
1.10Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58620-93-2
SMILES
CC(C)(C)OC(=O)CCN.Cl
InChIKey
DOMTZTVJNZKUNX-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)4-5-8;/h4-5,8H2,1-3H3;1H

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Names and synonyms

1 names
  • tert-Butyl 3-aminopropanoate hydrochloride

Work with H-Beta-ala-otbu hcl

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

H-Gamma-abu-otbu hcl58640-01-080 % similar Glycine tert-butyl ester hydrochloride27532-96-367 % similar Amino-peg1-T-butyl ester1260092-46-364 % similar tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-662 % similar tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate581065-95-462 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-862 % similar H2N-Peg8-tbu756526-06-462 % similar Methyl 3-aminopropionate hydrochloride3196-73-458 % similar

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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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