3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H23NO4 — CID 102631700

IUPAC3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1O
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)8-6-4-5-7-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyNLGQFTWWONQTCT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.11
Rot. Bonds3

About 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 102631700) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID102631700
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1O
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)8-6-4-5-7-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyNLGQFTWWONQTCT-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835983
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102631714
(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945805
cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066588
N-(2-hydroxycyclohexyl)-N-methyladamantane-2-carboxamide
CID 102635247
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
(2R)-N-(2-hydroxycyclohexyl)-N-methylpiperidine-2-carboxamide
CID 102631898
5-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 102637155
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 102631700) is 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CN(C(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is NLGQFTWWONQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)8-6-4-5-7-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 102631700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).