4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 115440844

IUPAC4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CCOC2C)(C(=O)O)CC1
InChIInChI=1S/C15H25NO4/c1-10-3-6-15(7-4-10,14(18)19)9-16-13(17)12-5-8-20-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPUXXBMPGBCGFMM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115440844) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115440844
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CCOC2C)(C(=O)O)CC1
InChIInChI=1S/C15H25NO4/c1-10-3-6-15(7-4-10,14(18)19)9-16-13(17)12-5-8-20-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPUXXBMPGBCGFMM-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,4-dioxane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441028
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
1-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440989
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901353
4-methyl-1-[[[2-(oxan-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115440948
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442661
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114424364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115440844) is 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)C2CCOC2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PUXXBMPGBCGFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10-3-6-15(7-4-10,14(18)19)9-16-13(17)12-5-8-20-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115440844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).