2-[benzoyl(propan-2-yl)amino]acetic acid

C12H15NO3 — CID 60830657

IUPAC2-[benzoyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(2)13(8-11(14)15)12(16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyCUCKZQKNJXSYCU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds4

About 2-[benzoyl(propan-2-yl)amino]acetic acid

2-[benzoyl(propan-2-yl)amino]acetic acid (PubChem CID 60830657) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[benzoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl(propan-2-yl)amino]acetic acid
PubChem CID60830657
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[benzoyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(2)13(8-11(14)15)12(16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyCUCKZQKNJXSYCU-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-[propan-2-yl-(4-pyrrol-1-ylbenzoyl)amino]acetic acid
CID 60831722
2-[[3-[[benzyl(methyl)amino]methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120580855
2-[[3-(benzenesulfonylmethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198774
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
CID 60830693
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759824
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[benzoyl(propan-2-yl)amino]acetic acid (CID 60830657) is 2-[benzoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[benzoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[benzoyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl(propan-2-yl)amino]acetic acid?
The InChIKey is CUCKZQKNJXSYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(2)13(8-11(14)15)12(16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[benzoyl(propan-2-yl)amino]acetic acid?
2-[benzoyl(propan-2-yl)amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60830657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).