2-(2-aminoprop-2-enyl)propanedioic acid

C6H9NO4 — CID 87757863

IUPAC2-(2-aminoprop-2-enyl)propanedioic acid
SMILESC=C(N)CC(C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3(7)2-4(5(8)9)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyWWILLDFZVODRRA-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.37
Rot. Bonds4

About 2-(2-aminoprop-2-enyl)propanedioic acid

2-(2-aminoprop-2-enyl)propanedioic acid (PubChem CID 87757863) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enyl)propanedioic acid.

Molecular Properties

Compound Name2-(2-aminoprop-2-enyl)propanedioic acid
PubChem CID87757863
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(2-aminoprop-2-enyl)propanedioic acid
SMILESC=C(N)CC(C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3(7)2-4(5(8)9)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyWWILLDFZVODRRA-UHFFFAOYSA-N
XLogP-0.37
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-6-amino-2-(1-hydroxyethenyl)-6-iodohex-5-enoic acid
CID 163518870
2-(1-hydroxyethenyl)pent-4-enoic acid
CID 173039321
4-aminopent-4-en-2-ol
CID 88961101
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
2-(2-aminooxy-2-oxoethyl)-3-methylbut-3-enoic acid
CID 90183215
4,5-dimethylhex-1-en-2-amine
CID 129255783
ethene-1,1-diol;prop-2-enamide
CID 174658864
(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride
CID 46845579
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
2-(2-ethoxy-2-oxoethyl)-3-methylidenebutanedioic acid
CID 101281405
2-aminobutanedioic acid;carbamic acid
CID 87364941
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enyl)propanedioic acid?
The IUPAC name of 2-(2-aminoprop-2-enyl)propanedioic acid (CID 87757863) is 2-(2-aminoprop-2-enyl)propanedioic acid.
What is the SMILES notation for 2-(2-aminoprop-2-enyl)propanedioic acid?
The canonical SMILES for 2-(2-aminoprop-2-enyl)propanedioic acid is C=C(N)CC(C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-aminoprop-2-enyl)propanedioic acid?
The InChIKey is WWILLDFZVODRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3(7)2-4(5(8)9)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-(2-aminoprop-2-enyl)propanedioic acid?
2-(2-aminoprop-2-enyl)propanedioic acid has a molecular weight of 159.14 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enyl)propanedioic acid is sourced from PubChem (CID 87757863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).