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

C11H20N2O5S — CID 120675022

IUPACcis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O5S/c1-11(2,13-19(3,17)18)10(16)12-8-5-4-7(6-8)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyIYTOHSAQWFUBRJ-JGVFFNPUSA-N
MW292.36 g/mol
LogP-0.32
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675022) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675022
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namecis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O5S/c1-11(2,13-19(3,17)18)10(16)12-8-5-4-7(6-8)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyIYTOHSAQWFUBRJ-JGVFFNPUSA-N
XLogP-0.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044575
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 120690552
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154
cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676181
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
trans-(1R,3R)-3-methylsulfonylcyclopentane-1-carboxylic acid
CID 99962548

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 120675022) is cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IYTOHSAQWFUBRJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(2,13-19(3,17)18)10(16)12-8-5-4-7(6-8)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).