cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 106324088

IUPACcis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-9-3-6-13(21-2)12(7-9)17-15(20)16-11-5-4-10(8-11)14(18)19/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1
InChIKeyJVKFWIPSOJRJQI-MNOVXSKESA-N
MW292.33 g/mol
LogP2.38
Rot. Bonds4

About cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106324088) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106324088
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namecis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-9-3-6-13(21-2)12(7-9)17-15(20)16-11-5-4-10(8-11)14(18)19/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1
InChIKeyJVKFWIPSOJRJQI-MNOVXSKESA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042823
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
CID 62700814

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106324088) is cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is COc1ccc(C)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JVKFWIPSOJRJQI-MNOVXSKESA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-3-6-13(21-2)12(7-9)17-15(20)16-11-5-4-10(8-11)14(18)19/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).