2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 64814516

IUPAC2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1cccc(Cl)c1)NC1CCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c16-10-3-1-4-11(9-10)21-8-7-14(18)17-13-6-2-5-12(13)15(19)20/h1,3-4,9,12-13H,2,5-8H2,(H,17,18)(H,19,20)
InChIKeyUBIKGVUDQFGMOT-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.48
Rot. Bonds6

About 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64814516) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID64814516
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1cccc(Cl)c1)NC1CCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c16-10-3-1-4-11(9-10)21-8-7-14(18)17-13-6-2-5-12(13)15(19)20/h1,3-4,9,12-13H,2,5-8H2,(H,17,18)(H,19,20)
InChIKeyUBIKGVUDQFGMOT-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
CID 62696320
3-(3-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103774376
CID 131885829
CID 131885829
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 64814516) is 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCOc1cccc(Cl)c1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UBIKGVUDQFGMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-10-3-1-4-11(9-10)21-8-7-14(18)17-13-6-2-5-12(13)15(19)20/h1,3-4,9,12-13H,2,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).