1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 69400249

IUPAC1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-13(12-7-3-1-4-8-12)16-11-15(14(18)19)9-5-2-6-10-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyHRSYBYHUKPVLFY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds4

About 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid

1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 69400249) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID69400249
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-13(12-7-3-1-4-8-12)16-11-15(14(18)19)9-5-2-6-10-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyHRSYBYHUKPVLFY-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
1-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369655
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541675
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid (CID 69400249) is 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HRSYBYHUKPVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(12-7-3-1-4-8-12)16-11-15(14(18)19)9-5-2-6-10-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).