methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate

C12H21NO3 — CID 60994754

IUPACmethyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCCC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)12(6-2-3-7-12)13-9-10-5-4-8-16-10/h10,13H,2-9H2,1H3
InChIKeyQJTIOXOJVACQDG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds4

About methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate

methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate (PubChem CID 60994754) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
PubChem CID60994754
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCCC1
InChIInChI=1S/C12H21NO3/c1-15-11(14)12(6-2-3-7-12)13-9-10-5-4-8-16-10/h10,13H,2-9H2,1H3
InChIKeyQJTIOXOJVACQDG-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate (CID 60994754) is methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate is COC(=O)C1(NCC2CCCO2)CCCC1.
What is the InChIKey of methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate?
The InChIKey is QJTIOXOJVACQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-11(14)12(6-2-3-7-12)13-9-10-5-4-8-16-10/h10,13H,2-9H2,1H3.
What are the key properties of methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate?
methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 60994754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).