cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 120677149

IUPACcis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(OCC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-9-6-12(4-5-13(9)16)21-8-14(18)17-11-3-2-10(7-11)15(19)20/h4-6,10-11H,2-3,7-8H2,1H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyQZRNZKMVOPSQQU-WDEREUQCSA-N
MW311.76 g/mol
LogP2.40
Rot. Bonds5

About cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677149) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677149
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Namecis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(OCC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-9-6-12(4-5-13(9)16)21-8-14(18)17-11-3-2-10(7-11)15(19)20/h4-6,10-11H,2-3,7-8H2,1H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyQZRNZKMVOPSQQU-WDEREUQCSA-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

Analyze cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677969
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66222245
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
(1S,2S,3R,4S)-3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98289805
cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677851

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120677149) is cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1cc(OCC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ccc1Cl.
What is the InChIKey of cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QZRNZKMVOPSQQU-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-6-12(4-5-13(9)16)21-8-14(18)17-11-3-2-10(7-11)15(19)20/h4-6,10-11H,2-3,7-8H2,1H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(4-chloro-3-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 cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).