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

C14H23NO4 — CID 113309602

IUPAC1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCOC1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H23NO4/c1-10-5-8-19-11(10)12(16)15-9-14(13(17)18)6-3-2-4-7-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDERHZDBEMZUTGH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.56
Rot. Bonds4

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

1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 113309602) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID113309602
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCOC1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H23NO4/c1-10-5-8-19-11(10)12(16)15-9-14(13(17)18)6-3-2-4-7-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDERHZDBEMZUTGH-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440844
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
1-[(thiolane-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309618
1-[[(2-aminocyclopentanecarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436439
1-[(thiolane-2-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443450
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 113309602) is 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCOC1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DERHZDBEMZUTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-5-8-19-11(10)12(16)15-9-14(13(17)18)6-3-2-4-7-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113309602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).