(Z)-5-amino-4-oxohept-2-enedioic acid

C7H9NO5 — CID 150051706

IUPAC(Z)-5-amino-4-oxohept-2-enedioic acid
SMILESNC(CC(=O)O)C(=O)/C=C\C(=O)O
InChIInChI=1S/C7H9NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h1-2,4H,3,8H2,(H,10,11)(H,12,13)/b2-1-
InChIKeyDLLPQJDRVKXDHX-UPHRSURJSA-N
MW187.15 g/mol
LogP-1.00
Rot. Bonds5

About (Z)-5-amino-4-oxohept-2-enedioic acid

(Z)-5-amino-4-oxohept-2-enedioic acid (PubChem CID 150051706) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is (Z)-5-amino-4-oxohept-2-enedioic acid.

Molecular Properties

Compound Name(Z)-5-amino-4-oxohept-2-enedioic acid
PubChem CID150051706
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name(Z)-5-amino-4-oxohept-2-enedioic acid
SMILESNC(CC(=O)O)C(=O)/C=C\C(=O)O
InChIInChI=1S/C7H9NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h1-2,4H,3,8H2,(H,10,11)(H,12,13)/b2-1-
InChIKeyDLLPQJDRVKXDHX-UPHRSURJSA-N
XLogP-1.00
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-5-amino-4-oxohept-2-enedioic 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

2-aminobutanedioic acid;but-2-enedioic acid
CID 173065727
(3S)-3-amino-4,5-dioxopentanoic acid
CID 89053272
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
2-aminobutanedioic acid;molybdenum
CID 76550864
CID 131864134
CID 131864134
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-4-oxohept-2-enedioic acid?
The IUPAC name of (Z)-5-amino-4-oxohept-2-enedioic acid (CID 150051706) is (Z)-5-amino-4-oxohept-2-enedioic acid.
What is the SMILES notation for (Z)-5-amino-4-oxohept-2-enedioic acid?
The canonical SMILES for (Z)-5-amino-4-oxohept-2-enedioic acid is NC(CC(=O)O)C(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-5-amino-4-oxohept-2-enedioic acid?
The InChIKey is DLLPQJDRVKXDHX-UPHRSURJSA-N. The full InChI is InChI=1S/C7H9NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h1-2,4H,3,8H2,(H,10,11)(H,12,13)/b2-1-.
What are the key properties of (Z)-5-amino-4-oxohept-2-enedioic acid?
(Z)-5-amino-4-oxohept-2-enedioic acid has a molecular weight of 187.15 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-4-oxohept-2-enedioic acid is sourced from PubChem (CID 150051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).