trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 108732321

IUPACtrans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NC[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccn1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-3-4-8-15-12)16-9-10-5-1-2-6-11(10)14(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyMYEQDCXKCXHDRM-QWRGUYRKSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds4

About trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid

trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 108732321) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID108732321
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametrans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NC[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccn1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-3-4-8-15-12)16-9-10-5-1-2-6-11(10)14(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyMYEQDCXKCXHDRM-QWRGUYRKSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114289788
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107971526
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
trans-(1S,2R)-2-[[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732361

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid (CID 108732321) is trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NC[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccn1.
What is the InChIKey of trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MYEQDCXKCXHDRM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(12-7-3-4-8-15-12)16-9-10-5-1-2-6-11(10)14(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,17)(H,18,19)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 108732321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).