2-[benzoyl(prop-2-enyl)amino]acetic acid

C12H13NO3 — CID 67991979

IUPAC2-[benzoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,15)
InChIKeyYOORACGIKWCGKG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds5

About 2-[benzoyl(prop-2-enyl)amino]acetic acid

2-[benzoyl(prop-2-enyl)amino]acetic acid (PubChem CID 67991979) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[benzoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl(prop-2-enyl)amino]acetic acid
PubChem CID67991979
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[benzoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,15)
InChIKeyYOORACGIKWCGKG-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromobenzoyl)-prop-2-enylamino]acetic acid
CID 79263284
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
2-[prop-2-enyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 79264072
2-[(3-propan-2-yloxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264054
2-[(4-bromo-3-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 81290807
2-[[2-(2-aminoethyl)benzoyl]-prop-2-enylamino]acetic acid
CID 79264345
2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
CID 79265584
2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262806
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[prop-2-enyl-[2-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 79263048
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79265157

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[benzoyl(prop-2-enyl)amino]acetic acid (CID 67991979) is 2-[benzoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[benzoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[benzoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is YOORACGIKWCGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,15).
What are the key properties of 2-[benzoyl(prop-2-enyl)amino]acetic acid?
2-[benzoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 67991979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).