(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid

C14H16N2O5 — CID 107821251

IUPAC(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
SMILESC=CCOc1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-2-7-21-10-5-3-9(4-6-10)13(18)16-11(14(19)20)8-12(15)17/h2-6,11H,1,7-8H2,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyFPFPPXNHHKMFEL-LLVKDONJSA-N
MW292.29 g/mol
LogP0.31
Rot. Bonds8

About (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid (PubChem CID 107821251) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
PubChem CID107821251
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
SMILESC=CCOc1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-2-7-21-10-5-3-9(4-6-10)13(18)16-11(14(19)20)8-12(15)17/h2-6,11H,1,7-8H2,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyFPFPPXNHHKMFEL-LLVKDONJSA-N
XLogP0.31
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-4-hydroxy-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
CID 107822149
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154
(2S)-4-amino-4-oxo-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 63714065
(2R)-4-amino-2-[(3-chloro-4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114004761
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
N-ethoxy-4-prop-2-enoxybenzamide
CID 60735511
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid (CID 107821251) is (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid is C=CCOc1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid?
The InChIKey is FPFPPXNHHKMFEL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-2-7-21-10-5-3-9(4-6-10)13(18)16-11(14(19)20)8-12(15)17/h2-6,11H,1,7-8H2,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107821251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).