cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

C12H19NO5S — CID 125150837

IUPACcis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1C[C@H]1C(=O)O)C1CC1
InChIInChI=1S/C12H19NO5S/c1-7(6-19(2,17)18)13(8-3-4-8)11(14)9-5-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7-,9+,10-/m1/s1
InChIKeyGLHBBQUMLNEPDU-FKTZTGRPSA-N
MW289.35 g/mol
LogP0.13
Rot. Bonds6

About cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 125150837) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID125150837
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Namecis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1C[C@H]1C(=O)O)C1CC1
InChIInChI=1S/C12H19NO5S/c1-7(6-19(2,17)18)13(8-3-4-8)11(14)9-5-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7-,9+,10-/m1/s1
InChIKeyGLHBBQUMLNEPDU-FKTZTGRPSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185161
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
CID 119785662
(1S)-N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 96539457
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119324783
(E)-N-cyclopropyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)pent-2-enamide
CID 132969313
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride
CID 119785647
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119185209
cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785653
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 125150837) is cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1C[C@H]1C(=O)O)C1CC1.
What is the InChIKey of cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GLHBBQUMLNEPDU-FKTZTGRPSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-7(6-19(2,17)18)13(8-3-4-8)11(14)9-5-10(9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7-,9+,10-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 289.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 125150837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).