prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate

C8H11NO4 — CID 87325804

IUPACprop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate
SMILESC=CCOC(=O)C(=O)/C=C(\N)CO
InChIInChI=1S/C8H11NO4/c1-2-3-13-8(12)7(11)4-6(9)5-10/h2,4,10H,1,3,5,9H2/b6-4-
InChIKeyQUJWUMPSPZDBOM-XQRVVYSFSA-N
MW185.18 g/mol
LogP-0.88
Rot. Bonds5

About prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate

prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate (PubChem CID 87325804) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate
PubChem CID87325804
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameprop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate
SMILESC=CCOC(=O)C(=O)/C=C(\N)CO
InChIInChI=1S/C8H11NO4/c1-2-3-13-8(12)7(11)4-6(9)5-10/h2,4,10H,1,3,5,9H2/b6-4-
InChIKeyQUJWUMPSPZDBOM-XQRVVYSFSA-N
XLogP-0.88
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate 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-oxo-2-prop-2-enoxyacetate
CID 18533281
prop-2-enyl 2-aminopenta-2,4-dienoate
CID 173160636
(Z)-3-amino-4-hydroxybut-2-enoic acid
CID 55291219
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate
CID 134117431
prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
CID 87182832
carbamic acid;prop-2-enyl carbamate
CID 87466810
prop-2-enyl 2-methylidenebutanoate
CID 12684713
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enamide;3-prop-2-enoxyprop-1-ene;prop-2-enyl 2-hydroxyacetate
CID 87501236
prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
benzene;prop-2-enyl carbamate
CID 174893735

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate?
The IUPAC name of prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate (CID 87325804) is prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate.
What is the SMILES notation for prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate?
The canonical SMILES for prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate is C=CCOC(=O)C(=O)/C=C(\N)CO.
What is the InChIKey of prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate?
The InChIKey is QUJWUMPSPZDBOM-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-13-8(12)7(11)4-6(9)5-10/h2,4,10H,1,3,5,9H2/b6-4-.
What are the key properties of prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate?
prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate has a molecular weight of 185.18 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate is sourced from PubChem (CID 87325804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).