3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 55236563

IUPAC3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-15(9-12-6-3-7-19-12)13(16)10-4-2-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyUPUGDBLOXQSHJF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds4

About 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 55236563) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID55236563
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCO1)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-15(9-12-6-3-7-19-12)13(16)10-4-2-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyUPUGDBLOXQSHJF-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
2-amino-N-methyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823844
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 55236563) is 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(CC1CCCO1)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UPUGDBLOXQSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15(9-12-6-3-7-19-12)13(16)10-4-2-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).