cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H9ClN2O3 — CID 93366184

IUPACcis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c13-7-2-1-6(5-14)10(3-7)15-11(16)8-4-9(8)12(17)18/h1-3,8-9H,4H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
InChIKeyUYJADSGYCATAJK-BDAKNGLRSA-N
MW264.67 g/mol
LogP1.87
Rot. Bonds3

About cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93366184) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93366184
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Namecis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c13-7-2-1-6(5-14)10(3-7)15-11(16)8-4-9(8)12(17)18/h1-3,8-9H,4H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
InChIKeyUYJADSGYCATAJK-BDAKNGLRSA-N
XLogP1.87
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391211
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93366184) is cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid is N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UYJADSGYCATAJK-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-7-2-1-6(5-14)10(3-7)15-11(16)8-4-9(8)12(17)18/h1-3,8-9H,4H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93366184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).