cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

C10H10N2O3 — CID 93346846

IUPACcis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccncc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C10H10N2O3/c13-9(7-5-8(7)10(14)15)12-6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H,11,12,13)/t7-,8+/m0/s1
InChIKeyWJYGMMUSUAJJIC-JGVFFNPUSA-N
MW206.20 g/mol
LogP0.74
Rot. Bonds3

About cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 93346846) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID93346846
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namecis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccncc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C10H10N2O3/c13-9(7-5-8(7)10(14)15)12-6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H,11,12,13)/t7-,8+/m0/s1
InChIKeyWJYGMMUSUAJJIC-JGVFFNPUSA-N
XLogP0.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 18644147
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
(2R,3S)-3-(pyridin-4-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114091831
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 93346846) is cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(Nc1ccncc1)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is WJYGMMUSUAJJIC-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9(7-5-8(7)10(14)15)12-6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H,11,12,13)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93346846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).