methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate

C14H29N3O2 — CID 55226592

IUPACmethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(CN(C)CCCN(C)C)NC1CC1
InChIInChI=1S/C14H29N3O2/c1-14(13(18)19-5,15-12-7-8-12)11-17(4)10-6-9-16(2)3/h12,15H,6-11H2,1-5H3
InChIKeyCDBUBAYMLLCADJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds9

About methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate

methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate (PubChem CID 55226592) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
PubChem CID55226592
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(CN(C)CCCN(C)C)NC1CC1
InChIInChI=1S/C14H29N3O2/c1-14(13(18)19-5,15-12-7-8-12)11-17(4)10-6-9-16(2)3/h12,15H,6-11H2,1-5H3
InChIKeyCDBUBAYMLLCADJ-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
CID 55141472
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63864868
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
CID 63956092
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate (CID 55226592) is methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate is COC(=O)C(C)(CN(C)CCCN(C)C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate?
The InChIKey is CDBUBAYMLLCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(13(18)19-5,15-12-7-8-12)11-17(4)10-6-9-16(2)3/h12,15H,6-11H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate?
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55226592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).