methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate

C14H28N2O2 — CID 78977393

IUPACmethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(CN(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11(2)8-9-16(12-6-7-12)10-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyLVPJPWPTBWLALQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds8

About methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate

methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate (PubChem CID 78977393) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
PubChem CID78977393
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(CN(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11(2)8-9-16(12-6-7-12)10-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyLVPJPWPTBWLALQ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)propanoic acid
CID 78977375
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate (CID 78977393) is methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate is CNC(C)(CN(CCC(C)C)C1CC1)C(=O)OC.
What is the InChIKey of methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate?
The InChIKey is LVPJPWPTBWLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)8-9-16(12-6-7-12)10-14(3,15-4)13(17)18-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate?
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 78977393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).