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

C19H25NO3S — CID 120676919

IUPACcis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(SC2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)cc1
InChIInChI=1S/C19H25NO3S/c1-13-4-8-16(9-5-13)24-19(10-2-3-11-19)18(23)20-15-7-6-14(12-15)17(21)22/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1
InChIKeyHDMFXIIIUWEZKO-LSDHHAIUSA-N
MW347.48 g/mol
LogP3.77
Rot. Bonds5

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

cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676919) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676919
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Namecis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(SC2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)cc1
InChIInChI=1S/C19H25NO3S/c1-13-4-8-16(9-5-13)24-19(10-2-3-11-19)18(23)20-15-7-6-14(12-15)17(21)22/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1
InChIKeyHDMFXIIIUWEZKO-LSDHHAIUSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 63042737
N-[(2S,3R)-2-methyloxolan-3-yl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 97250439
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
cis-(1S,3R)-3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108651
cis-(1R,3S)-3-[(1-aminocyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322800
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678923
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676919) is cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(SC2(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CCCC2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HDMFXIIIUWEZKO-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-13-4-8-16(9-5-13)24-19(10-2-3-11-19)18(23)20-15-7-6-14(12-15)17(21)22/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 347.48 g/mol, XLogP of 3.77, 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-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).