3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 66033106

IUPAC3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(OCCC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO4/c1-11-3-2-4-14(9-11)21-8-7-15(18)17-13-6-5-12(10-13)16(19)20/h2-4,9,12-13H,5-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXJVGHVSIDOXCHB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.13
Rot. Bonds6

About 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid

3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66033106) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID66033106
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(OCCC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO4/c1-11-3-2-4-14(9-11)21-8-7-15(18)17-13-6-5-12(10-13)16(19)20/h2-4,9,12-13H,5-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXJVGHVSIDOXCHB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 66033106) is 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid is Cc1cccc(OCCC(=O)NC2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XJVGHVSIDOXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-3-2-4-14(9-11)21-8-7-15(18)17-13-6-5-12(10-13)16(19)20/h2-4,9,12-13H,5-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).