3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid

C16H23NO3 — CID 81065974

IUPAC3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C(C)C)cc1)CC(=O)O
InChIInChI=1S/C16H23NO3/c1-4-12(9-15(18)19)10-17-16(20)14-7-5-13(6-8-14)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZHKSRNLSTGABFM-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.04
Rot. Bonds7

About 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid

3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 81065974) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
PubChem CID81065974
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C(C)C)cc1)CC(=O)O
InChIInChI=1S/C16H23NO3/c1-4-12(9-15(18)19)10-17-16(20)14-7-5-13(6-8-14)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZHKSRNLSTGABFM-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

3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid (CID 81065974) is 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccc(C(C)C)cc1)CC(=O)O.
What is the InChIKey of 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is ZHKSRNLSTGABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12(9-15(18)19)10-17-16(20)14-7-5-13(6-8-14)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid?
3-[[(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 3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).