methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate

C14H28N2O2 — CID 78923975

IUPACmethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
SMILESCNC(CCN(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11(2)7-9-16(12-5-6-12)10-8-13(15-3)14(17)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyZWVGNKMOQIKBML-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds9

About methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate

methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate (PubChem CID 78923975) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
PubChem CID78923975
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
SMILESCNC(CCN(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-11(2)7-9-16(12-5-6-12)10-8-13(15-3)14(17)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyZWVGNKMOQIKBML-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate?
The IUPAC name of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate (CID 78923975) is methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate is CNC(CCN(CCC(C)C)C1CC1)C(=O)OC.
What is the InChIKey of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate?
The InChIKey is ZWVGNKMOQIKBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)7-9-16(12-5-6-12)10-8-13(15-3)14(17)18-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate?
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 78923975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).