methyl 4-[cyclopentylmethyl(methyl)amino]butanoate

C12H23NO2 — CID 62013646

IUPACmethyl 4-[cyclopentylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CCCC1
InChIInChI=1S/C12H23NO2/c1-13(9-5-8-12(14)15-2)10-11-6-3-4-7-11/h11H,3-10H2,1-2H3
InChIKeyRMKLBECZFPORHB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds6

About methyl 4-[cyclopentylmethyl(methyl)amino]butanoate

methyl 4-[cyclopentylmethyl(methyl)amino]butanoate (PubChem CID 62013646) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 4-[cyclopentylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopentylmethyl(methyl)amino]butanoate
PubChem CID62013646
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 4-[cyclopentylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CCCC1
InChIInChI=1S/C12H23NO2/c1-13(9-5-8-12(14)15-2)10-11-6-3-4-7-11/h11H,3-10H2,1-2H3
InChIKeyRMKLBECZFPORHB-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentylmethyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[cyclopentylmethyl(methyl)amino]butanoate (CID 62013646) is methyl 4-[cyclopentylmethyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[cyclopentylmethyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[cyclopentylmethyl(methyl)amino]butanoate is COC(=O)CCCN(C)CC1CCCC1.
What is the InChIKey of methyl 4-[cyclopentylmethyl(methyl)amino]butanoate?
The InChIKey is RMKLBECZFPORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13(9-5-8-12(14)15-2)10-11-6-3-4-7-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 4-[cyclopentylmethyl(methyl)amino]butanoate?
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 62013646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).