(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

C₁₂H₂₃NO₄CAS 112695-98-4245.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.40Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

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

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Identifiers

CAS number

112695-98-4

SMILES

CC(C)(C)C[C@H](C(=O)O)NC(=O)OC(C)(C)C

InChIKey

PUQVQDMFCAGQQB-MRVPVSSYSA-N

InChI

InChI=1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1

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Names and synonyms

1 names

Boc-beta-tbu-D-ala-oh

Work with (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

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

Boc-D-abu-oh45121-22-071 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-069 % similar N-tert-Butyloxycarbonylcysteine20887-95-069 % similar Boc-ser(me)-oh51293-47-169 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-569 % similar Boc-D-nva-oh57521-85-469 % similar Boc-D-aspartic acid62396-48-969 % similar Boc-dap-oh73259-81-169 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-L-beta-homoleucine132549-43-0 (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-3 Boc-N-methyl-L-isoleucine52498-32-5 Boc-N-methyl-L-leucine53363-89-6 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4 Boc-leu-ome63096-02-6 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

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