(2R)-2-(2-methylprop-2-enoylamino)propanoic acid

C7H11NO3 — CID 38988703

IUPAC(2R)-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4(2)6(9)8-5(3)7(10)11/h5H,1H2,2-3H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyFQOWJGGXNSRNJS-RXMQYKEDSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds3

About (2R)-2-(2-methylprop-2-enoylamino)propanoic acid

(2R)-2-(2-methylprop-2-enoylamino)propanoic acid (PubChem CID 38988703) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-2-(2-methylprop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylprop-2-enoylamino)propanoic acid
PubChem CID38988703
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-4(2)6(9)8-5(3)7(10)11/h5H,1H2,2-3H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyFQOWJGGXNSRNJS-RXMQYKEDSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-methylprop-2-enoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylprop-2-enoylamino)propanoic acid?
The IUPAC name of (2R)-2-(2-methylprop-2-enoylamino)propanoic acid (CID 38988703) is (2R)-2-(2-methylprop-2-enoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-methylprop-2-enoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2-methylprop-2-enoylamino)propanoic acid is C=C(C)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylprop-2-enoylamino)propanoic acid?
The InChIKey is FQOWJGGXNSRNJS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)6(9)8-5(3)7(10)11/h5H,1H2,2-3H3,(H,8,9)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-(2-methylprop-2-enoylamino)propanoic acid?
(2R)-2-(2-methylprop-2-enoylamino)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylprop-2-enoylamino)propanoic acid is sourced from PubChem (CID 38988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).