cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid

C20H27NO4 — CID 120674963

IUPACcis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)ccc1C
InChIInChI=1S/C20H27NO4/c1-13-5-7-15(12-17(13)25-2)20(9-3-4-10-20)19(24)21-16-8-6-14(11-16)18(22)23/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3,(H,21,24)(H,22,23)/t14-,16+/m0/s1
InChIKeyJZENDOJVKNIQAZ-GOEBONIOSA-N
MW345.44 g/mol
LogP3.18
Rot. Bonds5

About cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120674963) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120674963
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Namecis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)ccc1C
InChIInChI=1S/C20H27NO4/c1-13-5-7-15(12-17(13)25-2)20(9-3-4-10-20)19(24)21-16-8-6-14(11-16)18(22)23/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3,(H,21,24)(H,22,23)/t14-,16+/m0/s1
InChIKeyJZENDOJVKNIQAZ-GOEBONIOSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120674963) is cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is COc1cc(C2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)ccc1C.
What is the InChIKey of cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JZENDOJVKNIQAZ-GOEBONIOSA-N. The full InChI is InChI=1S/C20H27NO4/c1-13-5-7-15(12-17(13)25-2)20(9-3-4-10-20)19(24)21-16-8-6-14(11-16)18(22)23/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3,(H,21,24)(H,22,23)/t14-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 3.18, 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-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).