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

C15H19NO5S — CID 120678433

IUPACcis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1S(C)(=O)=O
InChIInChI=1S/C15H19NO5S/c1-9-3-4-10(8-13(9)22(2,20)21)14(17)16-12-6-5-11(7-12)15(18)19/h3-4,8,11-12H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyVSETVFUABDXZBR-NEPJUHHUSA-N
MW325.39 g/mol
LogP1.38
Rot. Bonds4

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

cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678433) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678433
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Namecis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1S(C)(=O)=O
InChIInChI=1S/C15H19NO5S/c1-9-3-4-10(8-13(9)22(2,20)21)14(17)16-12-6-5-11(7-12)15(18)19/h3-4,8,11-12H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyVSETVFUABDXZBR-NEPJUHHUSA-N
XLogP1.38
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321411
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120678433) is cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1S(C)(=O)=O.
What is the InChIKey of cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VSETVFUABDXZBR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-9-3-4-10(8-13(9)22(2,20)21)14(17)16-12-6-5-11(7-12)15(18)19/h3-4,8,11-12H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).