(2S)-2-(2-cyanoethylamino)propanoic acid

C6H10N2O2 — CID 54110515

IUPAC(2S)-2-(2-cyanoethylamino)propanoic acid
SMILESC[C@H](NCCC#N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-5(6(9)10)8-4-2-3-7/h5,8H,2,4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyNGTORYSYDRDVFM-YFKPBYRVSA-N
MW142.16 g/mol
LogP-0.04
Rot. Bonds4

About (2S)-2-(2-cyanoethylamino)propanoic acid

(2S)-2-(2-cyanoethylamino)propanoic acid (PubChem CID 54110515) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (2S)-2-(2-cyanoethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-cyanoethylamino)propanoic acid
PubChem CID54110515
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(2S)-2-(2-cyanoethylamino)propanoic acid
SMILESC[C@H](NCCC#N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-5(6(9)10)8-4-2-3-7/h5,8H,2,4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyNGTORYSYDRDVFM-YFKPBYRVSA-N
XLogP-0.04
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-cyanoethylamino)-3-methylbutanoic acid
CID 11665476
(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577
(2R)-2-(but-3-ynylamino)propanoic acid
CID 83194835
(2S)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]amino]propanoic acid
CID 83194395
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(2-cyanoethylamino)-4-methylsulfanylbutanoic acid
CID 54033241
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(2-cyanoethylamino)pentanedioic acid
CID 23424376
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
CID 94522697
2-(2-cyanoethylamino)propanenitrile
CID 154209614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanoethylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-cyanoethylamino)propanoic acid (CID 54110515) is (2S)-2-(2-cyanoethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-cyanoethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-cyanoethylamino)propanoic acid is C[C@H](NCCC#N)C(=O)O.
What is the InChIKey of (2S)-2-(2-cyanoethylamino)propanoic acid?
The InChIKey is NGTORYSYDRDVFM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(6(9)10)8-4-2-3-7/h5,8H,2,4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-cyanoethylamino)propanoic acid?
(2S)-2-(2-cyanoethylamino)propanoic acid has a molecular weight of 142.16 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyanoethylamino)propanoic acid is sourced from PubChem (CID 54110515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).