(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid

C10H13NO4 — CID 89241922

IUPAC(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid
SMILESCC(=O)/C=C(\C=C/C=O)CC(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-7(13)5-8(3-2-4-12)6-9(11)10(14)15/h2-5,9H,6,11H2,1H3,(H,14,15)/b3-2-,8-5+
InChIKeySJEYXMUYGIWVGN-JGWPUVKASA-N
MW211.22 g/mol
LogP0.06
Rot. Bonds6

About (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid

(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid (PubChem CID 89241922) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid
PubChem CID89241922
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid
SMILESCC(=O)/C=C(\C=C/C=O)CC(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-7(13)5-8(3-2-4-12)6-9(11)10(14)15/h2-5,9H,6,11H2,1H3,(H,14,15)/b3-2-,8-5+
InChIKeySJEYXMUYGIWVGN-JGWPUVKASA-N
XLogP0.06
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-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

Related Compounds

(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
CID 146649344
2-amino-4-ethylidenehept-5-enoic acid
CID 123282783
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
acetyl chloride;2-aminobutanedioic acid
CID 174930999
2-aminobutanedioic acid;but-2-enedioic acid
CID 173065727
2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olate
CID 139031387
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
CID 163683229
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid?
The IUPAC name of (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid (CID 89241922) is (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid.
What is the SMILES notation for (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid?
The canonical SMILES for (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid is CC(=O)/C=C(\C=C/C=O)CC(N)C(=O)O.
What is the InChIKey of (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid?
The InChIKey is SJEYXMUYGIWVGN-JGWPUVKASA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(13)5-8(3-2-4-12)6-9(11)10(14)15/h2-5,9H,6,11H2,1H3,(H,14,15)/b3-2-,8-5+.
What are the key properties of (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid?
(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid is sourced from PubChem (CID 89241922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).