(2R)-2-acetamidopent-4-enoic acid

C7H11NO3 — CID 41097732

IUPAC(2R)-2-acetamidopent-4-enoic acid
SMILESC=CC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyQTNLDKHXFVSKCF-ZCFIWIBFSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds4

About (2R)-2-acetamidopent-4-enoic acid

(2R)-2-acetamidopent-4-enoic acid (PubChem CID 41097732) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-2-acetamidopent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-acetamidopent-4-enoic acid
PubChem CID41097732
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-2-acetamidopent-4-enoic acid
SMILESC=CC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyQTNLDKHXFVSKCF-ZCFIWIBFSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-acetamidopent-4-enoic 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-acetamidopent-4-enoic acid?
The IUPAC name of (2R)-2-acetamidopent-4-enoic acid (CID 41097732) is (2R)-2-acetamidopent-4-enoic acid.
What is the SMILES notation for (2R)-2-acetamidopent-4-enoic acid?
The canonical SMILES for (2R)-2-acetamidopent-4-enoic acid is C=CC[C@@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamidopent-4-enoic acid?
The InChIKey is QTNLDKHXFVSKCF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-acetamidopent-4-enoic acid?
(2R)-2-acetamidopent-4-enoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamidopent-4-enoic acid is sourced from PubChem (CID 41097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).