3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid

C14H17NO3S — CID 66031331

IUPAC3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1ccccc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H17NO3S/c16-13(9-19-12-4-2-1-3-5-12)15-11-7-6-10(8-11)14(17)18/h1-5,10-11H,6-9H2,(H,15,16)(H,17,18)
InChIKeyZVOQDDZXHFNHGC-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.15
Rot. Bonds5

About 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid

3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66031331) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66031331
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1ccccc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H17NO3S/c16-13(9-19-12-4-2-1-3-5-12)15-11-7-6-10(8-11)14(17)18/h1-5,10-11H,6-9H2,(H,15,16)(H,17,18)
InChIKeyZVOQDDZXHFNHGC-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320189
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 63042737
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
trans-(1R,3R)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774631
cis-(1R,3S)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774632
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide
CID 7354720
4-[(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230024

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid (CID 66031331) is 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(CSc1ccccc1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZVOQDDZXHFNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13(9-19-12-4-2-1-3-5-12)15-11-7-6-10(8-11)14(17)18/h1-5,10-11H,6-9H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).