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

C10H18N2O5S — CID 120676181

IUPACcis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-12(18(2,16)17)6-9(13)11-8-4-3-7(5-8)10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyWRUBCTXETMNNBP-JGVFFNPUSA-N
MW278.33 g/mol
LogP-0.75
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676181) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676181
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Namecis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-12(18(2,16)17)6-9(13)11-8-4-3-7(5-8)10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyWRUBCTXETMNNBP-JGVFFNPUSA-N
XLogP-0.75
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043639
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 95985225
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676181) is cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is CN(CC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)S(C)(=O)=O.
What is the InChIKey of cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WRUBCTXETMNNBP-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-12(18(2,16)17)6-9(13)11-8-4-3-7(5-8)10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.75, 5 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-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).