methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate

C11H19NO2 — CID 112581184

IUPACmethyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC1CCCC1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-6-7-12(10)8-9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyLETMVXFQVUQSAA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds3

About methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate

methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate (PubChem CID 112581184) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
PubChem CID112581184
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC1CCCC1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-6-7-12(10)8-9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyLETMVXFQVUQSAA-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 154779810
methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 42429826
methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
CID 114517132
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)azetidine-2-carboxylate
CID 112581577

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate (CID 112581184) is methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate is COC(=O)C1CCN1CC1CCCC1.
What is the InChIKey of methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate?
The InChIKey is LETMVXFQVUQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(13)10-6-7-12(10)8-9-4-2-3-5-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate?
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate is sourced from PubChem (CID 112581184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).