5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid

C14H17F2NO5 — CID 119234605

IUPAC5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
SMILESCOc1cccc(C(=O)NCCCCC(=O)O)c1OC(F)F
InChIInChI=1S/C14H17F2NO5/c1-21-10-6-4-5-9(12(10)22-14(15)16)13(20)17-8-3-2-7-11(18)19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyQPXXQNDQHWYEGY-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.28
Rot. Bonds9

About 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid

5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid (PubChem CID 119234605) has the molecular formula C14H17F2NO5 and a molecular weight of 317.29 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
PubChem CID119234605
Molecular FormulaC14H17F2NO5
Molecular Weight317.29 g/mol
Exact Mass317.11
IUPAC Name5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
SMILESCOc1cccc(C(=O)NCCCCC(=O)O)c1OC(F)F
InChIInChI=1S/C14H17F2NO5/c1-21-10-6-4-5-9(12(10)22-14(15)16)13(20)17-8-3-2-7-11(18)19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyQPXXQNDQHWYEGY-UHFFFAOYSA-N
XLogP2.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]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

11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid (CID 119234605) is 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid is COc1cccc(C(=O)NCCCCC(=O)O)c1OC(F)F.
What is the InChIKey of 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid?
The InChIKey is QPXXQNDQHWYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO5/c1-21-10-6-4-5-9(12(10)22-14(15)16)13(20)17-8-3-2-7-11(18)19/h4-6,14H,2-3,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid?
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid has a molecular weight of 317.29 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).