2-[benzoyl(propyl)amino]acetic acid

C12H15NO3 — CID 61011930

IUPAC2-[benzoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyRIORURLAGZJTAR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds5

About 2-[benzoyl(propyl)amino]acetic acid

2-[benzoyl(propyl)amino]acetic acid (PubChem CID 61011930) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[benzoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl(propyl)amino]acetic acid
PubChem CID61011930
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[benzoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)
InChIKeyRIORURLAGZJTAR-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
2-[propyl-[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 61012642
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2-[propyl-[3-(sulfamoylmethyl)benzoyl]amino]acetic acid
CID 119205518
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
CID 61013289
2-[propyl(1H-pyrrole-2-carbonyl)amino]acetic acid
CID 61011951
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[benzoyl(propyl)amino]acetic acid (CID 61011930) is 2-[benzoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[benzoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[benzoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl(propyl)amino]acetic acid?
The InChIKey is RIORURLAGZJTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-8-13(9-11(14)15)12(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15).
What are the key properties of 2-[benzoyl(propyl)amino]acetic acid?
2-[benzoyl(propyl)amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(propyl)amino]acetic acid is sourced from PubChem (CID 61011930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).