(2S)-2-amino-3-cyano-2-methylpropanoic acid

C5H8N2O2 — CID 45086571

IUPAC(2S)-2-amino-3-cyano-2-methylpropanoic acid
SMILESC[C@](N)(CC#N)C(=O)O
InChIInChI=1S/C5H8N2O2/c1-5(7,2-3-6)4(8)9/h2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyGNYMCUDNTVWKPR-YFKPBYRVSA-N
MW128.13 g/mol
LogP-0.30
Rot. Bonds2

About (2S)-2-amino-3-cyano-2-methylpropanoic acid

(2S)-2-amino-3-cyano-2-methylpropanoic acid (PubChem CID 45086571) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (2S)-2-amino-3-cyano-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-cyano-2-methylpropanoic acid
PubChem CID45086571
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(2S)-2-amino-3-cyano-2-methylpropanoic acid
SMILESC[C@](N)(CC#N)C(=O)O
InChIInChI=1S/C5H8N2O2/c1-5(7,2-3-6)4(8)9/h2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyGNYMCUDNTVWKPR-YFKPBYRVSA-N
XLogP-0.30
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-(cyanomethyl)butanedioic acid
CID 19432074
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-(3-cyano-2,2-dimethylpropoxy)-2-oxoacetic acid
CID 151880848
[(1-cyano-2-methylpropan-2-yl)amino]carbamic acid
CID 151958239
2-(cyanomethyl)-2-propylpentanoic acid
CID 144903309
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxypropyl]disulfanyl]-2-methylpropanoic acid;dihydrochloride
CID 175936776
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyano-2-methylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-cyano-2-methylpropanoic acid (CID 45086571) is (2S)-2-amino-3-cyano-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-cyano-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-cyano-2-methylpropanoic acid is C[C@](N)(CC#N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-cyano-2-methylpropanoic acid?
The InChIKey is GNYMCUDNTVWKPR-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-5(7,2-3-6)4(8)9/h2,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyano-2-methylpropanoic acid?
(2S)-2-amino-3-cyano-2-methylpropanoic acid has a molecular weight of 128.13 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyano-2-methylpropanoic acid is sourced from PubChem (CID 45086571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).