(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid

C16H21NO6S — CID 122069343

IUPAC(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOC(=O)C1CCCC1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO6S/c1-23-16(20)12-8-5-9-14(12)24(21,22)17-13(15(18)19)10-11-6-3-2-4-7-11/h2-4,6-7,12-14,17H,5,8-10H2,1H3,(H,18,19)/t12?,13-,14?/m0/s1
InChIKeyGCZLFKDVPHTTCC-MOKVOYLWSA-N
MW355.41 g/mol
LogP0.94
Rot. Bonds7

About (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid

(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 122069343) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID122069343
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOC(=O)C1CCCC1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO6S/c1-23-16(20)12-8-5-9-14(12)24(21,22)17-13(15(18)19)10-11-6-3-2-4-7-11/h2-4,6-7,12-14,17H,5,8-10H2,1H3,(H,18,19)/t12?,13-,14?/m0/s1
InChIKeyGCZLFKDVPHTTCC-MOKVOYLWSA-N
XLogP0.94
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342542
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 167838567
(2S)-2-(methoxycarbonylsulfamoylamino)-3-phenylpropanoic acid
CID 104929105
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid (CID 122069343) is (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid is COC(=O)C1CCCC1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is GCZLFKDVPHTTCC-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-23-16(20)12-8-5-9-14(12)24(21,22)17-13(15(18)19)10-11-6-3-2-4-7-11/h2-4,6-7,12-14,17H,5,8-10H2,1H3,(H,18,19)/t12?,13-,14?/m0/s1.
What are the key properties of (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid?
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 355.41 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 122069343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).