3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid

C14H19NO4 — CID 81066104

IUPAC3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(OC)cc1)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-10(8-13(16)17)9-15-14(18)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQXGURKKRDZVRHD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds7

About 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid

3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid (PubChem CID 81066104) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
PubChem CID81066104
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(OC)cc1)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-10(8-13(16)17)9-15-14(18)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQXGURKKRDZVRHD-UHFFFAOYSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065883
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
CID 70338276
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid (CID 81066104) is 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccc(OC)cc1)CC(=O)O.
What is the InChIKey of 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid?
The InChIKey is QXGURKKRDZVRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10(8-13(16)17)9-15-14(18)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid?
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).