2-(prop-2-enoylamino)pentanedioic acid

C8H11NO5 — CID 10265239

IUPAC2-(prop-2-enoylamino)pentanedioic acid
SMILESC=CC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h2,5H,1,3-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyVLEHUIOENHDIKW-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.39
Rot. Bonds6

About 2-(prop-2-enoylamino)pentanedioic acid

2-(prop-2-enoylamino)pentanedioic acid (PubChem CID 10265239) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(prop-2-enoylamino)pentanedioic acid
PubChem CID10265239
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-(prop-2-enoylamino)pentanedioic acid
SMILESC=CC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h2,5H,1,3-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyVLEHUIOENHDIKW-UHFFFAOYSA-N
XLogP-0.39
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enoylamino)pentanedioic 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 2-(prop-2-enoylamino)pentanedioic acid?
The IUPAC name of 2-(prop-2-enoylamino)pentanedioic acid (CID 10265239) is 2-(prop-2-enoylamino)pentanedioic acid.
What is the SMILES notation for 2-(prop-2-enoylamino)pentanedioic acid?
The canonical SMILES for 2-(prop-2-enoylamino)pentanedioic acid is C=CC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(prop-2-enoylamino)pentanedioic acid?
The InChIKey is VLEHUIOENHDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-2-6(10)9-5(8(13)14)3-4-7(11)12/h2,5H,1,3-4H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(prop-2-enoylamino)pentanedioic acid?
2-(prop-2-enoylamino)pentanedioic acid has a molecular weight of 201.18 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)pentanedioic acid is sourced from PubChem (CID 10265239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).