cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid

C15H20N2O3 — CID 124674627

IUPACcis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1cccnc1
InChIInChI=1S/C15H20N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,17,18)(H,19,20)/t10-,11-,12+/m0/s1
InChIKeyHPCVJCTXJXDQQL-SDDRHHMPSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds4

About cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 124674627) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID124674627
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1cccnc1
InChIInChI=1S/C15H20N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,17,18)(H,19,20)/t10-,11-,12+/m0/s1
InChIKeyHPCVJCTXJXDQQL-SDDRHHMPSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 124674627) is cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid is C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1cccnc1.
What is the InChIKey of cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HPCVJCTXJXDQQL-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,17,18)(H,19,20)/t10-,11-,12+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124674627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).