methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate

C14H26N2O3 — CID 82743969

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
SMILESCOC(=O)C(C)(CCN(C)C1CCOC1)NC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(13(17)18-3,15-11-4-5-11)7-8-16(2)12-6-9-19-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyQGPSHSYRZUCPKY-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds7

About methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate

methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate (PubChem CID 82743969) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
PubChem CID82743969
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
SMILESCOC(=O)C(C)(CCN(C)C1CCOC1)NC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(13(17)18-3,15-11-4-5-11)7-8-16(2)12-6-9-19-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyQGPSHSYRZUCPKY-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanoate
CID 82734670
methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743564
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
ethyl 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanoate
CID 82744284
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate
CID 63557500
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743485
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate (CID 82743969) is methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate is COC(=O)C(C)(CCN(C)C1CCOC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate?
The InChIKey is QGPSHSYRZUCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(13(17)18-3,15-11-4-5-11)7-8-16(2)12-6-9-19-10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate is sourced from PubChem (CID 82743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).