5-(3-phenylmethoxypropanoylamino)pentanoic acid

C15H21NO4 — CID 119234260

IUPAC5-(3-phenylmethoxypropanoylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCOCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14(16-10-5-4-8-15(18)19)9-11-20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,17)(H,18,19)
InChIKeyYEBGYFBFYAGNMV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds10

About 5-(3-phenylmethoxypropanoylamino)pentanoic acid

5-(3-phenylmethoxypropanoylamino)pentanoic acid (PubChem CID 119234260) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3-phenylmethoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-phenylmethoxypropanoylamino)pentanoic acid
PubChem CID119234260
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-(3-phenylmethoxypropanoylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCOCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14(16-10-5-4-8-15(18)19)9-11-20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,17)(H,18,19)
InChIKeyYEBGYFBFYAGNMV-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-phenylmethoxypropanoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
4-oxo-4-[5-[[4-oxo-4-[phenylmethoxy(5-phenylmethoxypentyl)amino]butanoyl]amino]pentyl-phenylmethoxyamino]butanoic acid
CID 10532656

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxypropanoylamino)pentanoic acid?
The IUPAC name of 5-(3-phenylmethoxypropanoylamino)pentanoic acid (CID 119234260) is 5-(3-phenylmethoxypropanoylamino)pentanoic acid.
What is the SMILES notation for 5-(3-phenylmethoxypropanoylamino)pentanoic acid?
The canonical SMILES for 5-(3-phenylmethoxypropanoylamino)pentanoic acid is O=C(O)CCCCNC(=O)CCOCc1ccccc1.
What is the InChIKey of 5-(3-phenylmethoxypropanoylamino)pentanoic acid?
The InChIKey is YEBGYFBFYAGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-14(16-10-5-4-8-15(18)19)9-11-20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,17)(H,18,19).
What are the key properties of 5-(3-phenylmethoxypropanoylamino)pentanoic acid?
5-(3-phenylmethoxypropanoylamino)pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 119234260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).