3-[(cyclohexanecarbonylamino)methyl]benzoic acid

C15H19NO3 — CID 60895668

IUPAC3-[(cyclohexanecarbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17)(H,18,19)
InChIKeyOQQQERHHMRTPLA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.58
Rot. Bonds4

About 3-[(cyclohexanecarbonylamino)methyl]benzoic acid

3-[(cyclohexanecarbonylamino)methyl]benzoic acid (PubChem CID 60895668) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(cyclohexanecarbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(cyclohexanecarbonylamino)methyl]benzoic acid
PubChem CID60895668
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(cyclohexanecarbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17)(H,18,19)
InChIKeyOQQQERHHMRTPLA-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
3-[[[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 99849409
N-benzylcyclopentanecarboxamide
CID 835634
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
N-benzylcyclobutanecarboxamide
CID 730128
3-[[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]methyl]benzoic acid
CID 129435040
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexanecarbonylamino)methyl]benzoic acid?
The IUPAC name of 3-[(cyclohexanecarbonylamino)methyl]benzoic acid (CID 60895668) is 3-[(cyclohexanecarbonylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(cyclohexanecarbonylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(cyclohexanecarbonylamino)methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-[(cyclohexanecarbonylamino)methyl]benzoic acid?
The InChIKey is OQQQERHHMRTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)15(18)19/h4-5,8-9,12H,1-3,6-7,10H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(cyclohexanecarbonylamino)methyl]benzoic acid?
3-[(cyclohexanecarbonylamino)methyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexanecarbonylamino)methyl]benzoic acid is sourced from PubChem (CID 60895668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).