methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate

C13H24N2O3 — CID 82743325

IUPACmethyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1
InChIInChI=1S/C13H24N2O3/c1-14-13(12(16)17-3)6-4-10(8-13)15(2)11-5-7-18-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeyWWKGATYEMLEBEW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds4

About methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate

methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate (PubChem CID 82743325) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
PubChem CID82743325
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1
InChIInChI=1S/C13H24N2O3/c1-14-13(12(16)17-3)6-4-10(8-13)15(2)11-5-7-18-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeyWWKGATYEMLEBEW-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743319
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 71088341
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645914

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate (CID 82743325) is methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1.
What is the InChIKey of methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is WWKGATYEMLEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14-13(12(16)17-3)6-4-10(8-13)15(2)11-5-7-18-9-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 82743325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).