3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 66032521

IUPAC3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-2-9-21-14-7-4-11(5-8-14)15(18)17-13-6-3-12(10-13)16(19)20/h4-5,7-8,12-13H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCWGWOSDPHARQDN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds6

About 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032521) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032521
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-2-9-21-14-7-4-11(5-8-14)15(18)17-13-6-3-12(10-13)16(19)20/h4-5,7-8,12-13H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyCWGWOSDPHARQDN-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-butoxy-N-cyclobutylbenzamide
CID 71449411
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66032521) is 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid is CCCOc1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CWGWOSDPHARQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-9-21-14-7-4-11(5-8-14)15(18)17-13-6-3-12(10-13)16(19)20/h4-5,7-8,12-13H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).