cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid

C12H21NO5S — CID 120676145

IUPACcis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H21NO5S/c1-8(2)6-19(17,18)7-11(14)13-10-4-3-9(5-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9-,10+/m0/s1
InChIKeyGFYLLIPNKRVQBH-VHSXEESVSA-N
MW291.37 g/mol
LogP0.43
Rot. Bonds6

About cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676145) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676145
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Namecis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C12H21NO5S/c1-8(2)6-19(17,18)7-11(14)13-10-4-3-9(5-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9-,10+/m0/s1
InChIKeyGFYLLIPNKRVQBH-VHSXEESVSA-N
XLogP0.43
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
CID 119454185
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677637
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676181
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120676482
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676145) is cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid is CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GFYLLIPNKRVQBH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-8(2)6-19(17,18)7-11(14)13-10-4-3-9(5-10)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).