4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 120673614

IUPAC4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(CNC(=O)C2CCC(C(=O)O)CC2)CCOC1
InChIInChI=1S/C14H23NO4/c1-14(6-7-19-9-14)8-15-12(16)10-2-4-11(5-3-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyGWWYFZSPBSEADB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.42
Rot. Bonds4

About 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673614) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673614
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(CNC(=O)C2CCC(C(=O)O)CC2)CCOC1
InChIInChI=1S/C14H23NO4/c1-14(6-7-19-9-14)8-15-12(16)10-2-4-11(5-3-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyGWWYFZSPBSEADB-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[(4-methylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 113400555
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
4-[(3-methyloxolan-3-yl)methylcarbamoylamino]butanoic acid
CID 122002022
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
N-[(4-methyloxan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113252970
4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673700
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673614) is 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CC1(CNC(=O)C2CCC(C(=O)O)CC2)CCOC1.
What is the InChIKey of 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GWWYFZSPBSEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(6-7-19-9-14)8-15-12(16)10-2-4-11(5-3-10)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).