2-[(4-propan-2-ylbenzoyl)amino]propanoic acid

C13H17NO3 — CID 16769025

IUPAC2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C13H17NO3/c1-8(2)10-4-6-11(7-5-10)12(15)14-9(3)13(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyYIGKIMMXZWNJGW-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid

2-[(4-propan-2-ylbenzoyl)amino]propanoic acid (PubChem CID 16769025) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
PubChem CID16769025
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C13H17NO3/c1-8(2)10-4-6-11(7-5-10)12(15)14-9(3)13(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyYIGKIMMXZWNJGW-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
N-(1-cyanoethyl)-4-propan-2-ylbenzamide
CID 61121040
2-[[4-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 119225433
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
2-[[4-(cyanomethyl)benzoyl]amino]propanoic acid
CID 82178772

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid (CID 16769025) is 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The InChIKey is YIGKIMMXZWNJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8(2)10-4-6-11(7-5-10)12(15)14-9(3)13(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 16769025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).