chempirical

(2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid

C10H19NO4CAS 53308-95-5217.26 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C10H19NO4
Molar mass
217.26 g/mol
Exact mass
217.1314 Da
logP
1.76Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

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
53308-95-5
SMILES
CCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
INWOAUUPYIXDHN-ZETCQYMHSA-N
InChI
InChI=1S/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Boc-nva-oh

Work with (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-nva-oh57521-85-4Enantiomer

Similar compounds

Boc-D-abu-oh45121-22-076 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-674 % similar Boc-D-2,4-diaminobutyric acid80445-78-974 % similar Boc-D-glu(otbu)-oh104719-63-373 % similar Boc-L-glutamic acid2419-94-573 % similar Boc-D-glu-oh34404-28-973 % similar Boc-orn-oh21887-64-971 % similar Boc-orn(boc)-oh57133-29-671 % similar

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

Same formula

2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Boc-N,2-dimethylalanine146000-39-7 tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0 Boc-D-valine22838-58-0 Boc-5-aminopentanoic acid27219-07-4

Elsewhere

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