2-[(3-propan-2-ylbenzoyl)amino]acetic acid

C12H15NO3 — CID 90058974

IUPAC2-[(3-propan-2-ylbenzoyl)amino]acetic acid
SMILESCC(C)c1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8(2)9-4-3-5-10(6-9)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyAWNISJZQAKOKKO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds4

About 2-[(3-propan-2-ylbenzoyl)amino]acetic acid

2-[(3-propan-2-ylbenzoyl)amino]acetic acid (PubChem CID 90058974) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(3-propan-2-ylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-propan-2-ylbenzoyl)amino]acetic acid
PubChem CID90058974
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[(3-propan-2-ylbenzoyl)amino]acetic acid
SMILESCC(C)c1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8(2)9-4-3-5-10(6-9)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyAWNISJZQAKOKKO-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
2-[2-(3-propan-2-ylphenyl)propanoylamino]acetic acid
CID 85054099
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
2-benzamidoacetic acid;hydrofluoride
CID 174760685
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
2-[[3-(tribromomethoxycarbonyl)benzoyl]amino]acetic acid
CID 58971754
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 71915540

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-propan-2-ylbenzoyl)amino]acetic acid (CID 90058974) is 2-[(3-propan-2-ylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-propan-2-ylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-propan-2-ylbenzoyl)amino]acetic acid is CC(C)c1cccc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(3-propan-2-ylbenzoyl)amino]acetic acid?
The InChIKey is AWNISJZQAKOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)9-4-3-5-10(6-9)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3-propan-2-ylbenzoyl)amino]acetic acid?
2-[(3-propan-2-ylbenzoyl)amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylbenzoyl)amino]acetic acid is sourced from PubChem (CID 90058974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).