3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 66032110

IUPAC3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)c(OCC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18ClNO4/c1-9-2-5-12(16)13(6-9)21-8-14(18)17-11-4-3-10(7-11)15(19)20/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyUYYXZLWFTCHZNS-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.40
Rot. Bonds5

About 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66032110) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66032110
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)c(OCC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18ClNO4/c1-9-2-5-12(16)13(6-9)21-8-14(18)17-11-4-3-10(7-11)15(19)20/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyUYYXZLWFTCHZNS-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
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
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677969
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66032110) is 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(Cl)c(OCC(=O)NC2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UYYXZLWFTCHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-2-5-12(16)13(6-9)21-8-14(18)17-11-4-3-10(7-11)15(19)20/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).