methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate

C14H26N2O2 — CID 63956092

IUPACmethyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
SMILESCCN(CC1CC1)CC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C14H26N2O2/c1-4-16(9-11-5-6-11)10-14(2,13(17)18-3)15-12-7-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyGWWAVBOTVRYSPV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds8

About methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate

methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate (PubChem CID 63956092) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
PubChem CID63956092
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
SMILESCCN(CC1CC1)CC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C14H26N2O2/c1-4-16(9-11-5-6-11)10-14(2,13(17)18-3)15-12-7-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyGWWAVBOTVRYSPV-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
methyl 3-[ethyl(piperidin-4-ylmethyl)amino]-2-hydroxy-2-methylpropanoate
CID 113436629
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
CID 43725918
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate (CID 63956092) is methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate is CCN(CC1CC1)CC(C)(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate?
The InChIKey is GWWAVBOTVRYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(9-11-5-6-11)10-14(2,13(17)18-3)15-12-7-8-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate?
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate is sourced from PubChem (CID 63956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).