methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate

C13H21NO4 — CID 115185155

IUPACmethyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CC2CCCC2)COC1
InChIInChI=1S/C13H21NO4/c1-14(7-10-5-3-4-6-10)11(15)13(8-18-9-13)12(16)17-2/h10H,3-9H2,1-2H3
InChIKeyRCXKAVUQIWLMLC-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.82
Rot. Bonds4

About methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate

methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate (PubChem CID 115185155) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
PubChem CID115185155
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CC2CCCC2)COC1
InChIInChI=1S/C13H21NO4/c1-14(7-10-5-3-4-6-10)11(15)13(8-18-9-13)12(16)17-2/h10H,3-9H2,1-2H3
InChIKeyRCXKAVUQIWLMLC-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-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

methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185096
N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185404
methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184337
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76921659
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80596971
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
N-(cyclopentylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119759240
N-(cyclohexylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119704445
methyl 3-[methyl(1H-pyrrol-3-ylmethyl)carbamoyl]oxetane-3-carboxylate
CID 115185150
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193
N-(cyclobutylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119770688
N-(cyclopropylmethyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 159127981

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate (CID 115185155) is methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate is COC(=O)C1(C(=O)N(C)CC2CCCC2)COC1.
What is the InChIKey of methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate?
The InChIKey is RCXKAVUQIWLMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-14(7-10-5-3-4-6-10)11(15)13(8-18-9-13)12(16)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate?
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate is sourced from PubChem (CID 115185155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).