methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate

C14H23NO4 — CID 108745201

IUPACmethyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)C1CCCO1
InChIInChI=1S/C14H23NO4/c1-18-14(17)11-6-3-2-5-10(11)9-15-13(16)12-7-4-8-19-12/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyVXYTXQMDPSROLQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate

methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 108745201) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID108745201
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)C1CCCO1
InChIInChI=1S/C14H23NO4/c1-18-14(17)11-6-3-2-5-10(11)9-15-13(16)12-7-4-8-19-12/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyVXYTXQMDPSROLQ-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745192
N-[(4-bromocyclohexyl)methyl]oxane-2-carboxamide
CID 106134208
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
methyl 2-[[(5-oxo-5-phenylpentanoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745297
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate (CID 108745201) is methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)C1CCCO1.
What is the InChIKey of methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is VXYTXQMDPSROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-14(17)11-6-3-2-5-10(11)9-15-13(16)12-7-4-8-19-12/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate?
methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).