1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid

C12H21NO3 — CID 60992615

IUPAC1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h10,13H,1-9H2,(H,14,15)
InChIKeyYMIWUEMKHWDZIV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.54
Rot. Bonds4

About 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid

1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid (PubChem CID 60992615) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
PubChem CID60992615
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h10,13H,1-9H2,(H,14,15)
InChIKeyYMIWUEMKHWDZIV-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxolane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 24693409
(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
CID 25215052
isopropyl (S)-2-heptylpyrrolidine-2-carboxylate
CID 171394206
(2R,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
CID 179010087
1-(Oxolan-2-ylmethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756099
Methyl 1-(oxolan-2-ylmethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64756100
1-(Oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758433
Methyl 1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64758434
3,3,3-Trifluoro-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoic acid
CID 102899256
3,3-Difluoro-5-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]oxolan-2-one
CID 113840977
6,6,6-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)hexanoic acid
CID 116535542
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]propanoic acid
CID 9965297

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid (CID 60992615) is 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YMIWUEMKHWDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h10,13H,1-9H2,(H,14,15).
What are the key properties of 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60992615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).