(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide

C13H23NO3 — CID 94468705

IUPAC(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
SMILESCC1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H23NO3/c1-10-4-6-13(9-15,7-5-10)14-12(16)11-3-2-8-17-11/h10-11,15H,2-9H2,1H3,(H,14,16)/t10?,11-,13?/m0/s1
InChIKeyADAZAYQPYHZAIP-AKJDGMEZSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds3

About (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide

(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide (PubChem CID 94468705) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
PubChem CID94468705
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
SMILESCC1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H23NO3/c1-10-4-6-13(9-15,7-5-10)14-12(16)11-3-2-8-17-11/h10-11,15H,2-9H2,1H3,(H,14,16)/t10?,11-,13?/m0/s1
InChIKeyADAZAYQPYHZAIP-AKJDGMEZSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945188
N-[1-(bromomethyl)-3-methylcyclohexyl]oxolane-2-carboxamide
CID 114314670
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,4-dioxane-2-carboxamide
CID 63767249
(1S,6R)-6-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962384
4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 93298114
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide (CID 94468705) is (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide is CC1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide?
The InChIKey is ADAZAYQPYHZAIP-AKJDGMEZSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-4-6-13(9-15,7-5-10)14-12(16)11-3-2-8-17-11/h10-11,15H,2-9H2,1H3,(H,14,16)/t10?,11-,13?/m0/s1.
What are the key properties of (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide?
(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 94468705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).