2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid

C19H27NO5 — CID 120537921

IUPAC2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C19H27NO5/c1-3-4-9-15(19(22)23)20-18(21)13-10-11-16(24-2)17(12-13)25-14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGMXVPJDIXUADRZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.39
Rot. Bonds9

About 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid

2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid (PubChem CID 120537921) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
PubChem CID120537921
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C19H27NO5/c1-3-4-9-15(19(22)23)20-18(21)13-10-11-16(24-2)17(12-13)25-14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGMXVPJDIXUADRZ-UHFFFAOYSA-N
XLogP3.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]hexanoic acid
CID 107144546
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
(2S)-2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]hexanoic acid
CID 120614500
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2190462
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid (CID 120537921) is 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid?
The InChIKey is GMXVPJDIXUADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-3-4-9-15(19(22)23)20-18(21)13-10-11-16(24-2)17(12-13)25-14-7-5-6-8-14/h10-12,14-15H,3-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid?
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid has a molecular weight of 349.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 120537921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).