2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid

C16H23NO3 — CID 65219089

IUPAC2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-4-5-14(16(19)20)10-17-15(18)13-8-6-12(7-9-13)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXMJZFXKOCAKGQS-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.04
Rot. Bonds7

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

2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 65219089) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
PubChem CID65219089
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-4-5-14(16(19)20)10-17-15(18)13-8-6-12(7-9-13)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXMJZFXKOCAKGQS-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-methylsulfonylbenzoyl)amino]methyl]pentanoic acid
CID 65223109
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
2-[[3-(4-aminophenyl)butanoylamino]methyl]pentanoic acid
CID 104502735
2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
CID 65223413
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
2-[[(3-methyl-4-nitrobenzoyl)amino]methyl]pentanoic acid
CID 65223308
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid (CID 65219089) is 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is XMJZFXKOCAKGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-14(16(19)20)10-17-15(18)13-8-6-12(7-9-13)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.04, 7 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]methyl]pentanoic acid is sourced from PubChem (CID 65219089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).