(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid

C6H10N2O3 — CID 131229164

IUPAC(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-5(9)8-3-4(7)6(10)11/h2,4H,1,3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyVVIBVEJVLCHXNZ-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.30
Rot. Bonds4

About (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid

(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid (PubChem CID 131229164) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid
PubChem CID131229164
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid
SMILESC=CC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-5(9)8-3-4(7)6(10)11/h2,4H,1,3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyVVIBVEJVLCHXNZ-BYPYZUCNSA-N
XLogP-1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Antibiotic A 19009
CID 6439822
N(3)-fumaroyl-(S)-2,3-diaminopropanoate
CID 46926285
(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoate
CID 86583466
3-(((2E)-4-Amino-1,4-dioxo-2-buten-1-yl)amino)-L-alanine
CID 6439892
N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid
CID 46926286
N-acryloyl-beta-alanine
CID 324231
3-(Acryloylamino)butanoic acid
CID 13879813
(2R)-2-amino-3-[[(E)-4-fluoro-4-oxobut-2-enoyl]amino]propanoic acid
CID 155426055
(2S)-2-amino-3-[[(E)-4-fluoro-4-oxobut-2-enoyl]amino]propanoic acid
CID 155426257
alpha-Amino-beta-(glycylamino)-propionic acid
CID 14721793
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
2-Amino-3-(2-methylprop-2-enoylamino)propanoic acid
CID 58271880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid (CID 131229164) is (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid is C=CC(=O)NC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid?
The InChIKey is VVIBVEJVLCHXNZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-5(9)8-3-4(7)6(10)11/h2,4H,1,3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid?
(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid has a molecular weight of 158.16 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(prop-2-enoylamino)propanoic acid is sourced from PubChem (CID 131229164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).