(E)-2-amino-4-oxopent-2-enoic acid

C5H7NO3 — CID 45085327

IUPAC(E)-2-amino-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C(/N)C(=O)O
InChIInChI=1S/C5H7NO3/c1-3(7)2-4(6)5(8)9/h2H,6H2,1H3,(H,8,9)/b4-2+
InChIKeyBNXNDZDKAOHDMR-DUXPYHPUSA-N
MW129.11 g/mol
LogP-0.50
Rot. Bonds2

About (E)-2-amino-4-oxopent-2-enoic acid

(E)-2-amino-4-oxopent-2-enoic acid (PubChem CID 45085327) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (E)-2-amino-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-oxopent-2-enoic acid
PubChem CID45085327
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(E)-2-amino-4-oxopent-2-enoic acid
SMILESCC(=O)/C=C(/N)C(=O)O
InChIInChI=1S/C5H7NO3/c1-3(7)2-4(6)5(8)9/h2H,6H2,1H3,(H,8,9)/b4-2+
InChIKeyBNXNDZDKAOHDMR-DUXPYHPUSA-N
XLogP-0.50
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(4-amino-4-hydroxybut-3-en-2-one);iron
CID 147271636
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
(Z)-2-amino-4-(diaminomethylidene)hex-2-enoic acid
CID 146638174
2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 154028323
5-amino-4-hydroxyhexa-3,5-dien-2-one
CID 91521118
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
CID 10892468
CID 10892468
CID 6826582
CID 6826582
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-oxopent-2-enoic acid?
The IUPAC name of (E)-2-amino-4-oxopent-2-enoic acid (CID 45085327) is (E)-2-amino-4-oxopent-2-enoic acid.
What is the SMILES notation for (E)-2-amino-4-oxopent-2-enoic acid?
The canonical SMILES for (E)-2-amino-4-oxopent-2-enoic acid is CC(=O)/C=C(/N)C(=O)O.
What is the InChIKey of (E)-2-amino-4-oxopent-2-enoic acid?
The InChIKey is BNXNDZDKAOHDMR-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3(7)2-4(6)5(8)9/h2H,6H2,1H3,(H,8,9)/b4-2+.
What are the key properties of (E)-2-amino-4-oxopent-2-enoic acid?
(E)-2-amino-4-oxopent-2-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-oxopent-2-enoic acid is sourced from PubChem (CID 45085327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).