ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate

C16H32N2O3 — CID 64711612

IUPACethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)C(C)COC)NC1CC1
InChIInChI=1S/C16H32N2O3/c1-7-21-15(19)16(4,17-14-8-9-14)10-12(2)18(5)13(3)11-20-6/h12-14,17H,7-11H2,1-6H3
InChIKeyIJIVYVNUHNZWHB-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds10

About ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate

ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate (PubChem CID 64711612) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
PubChem CID64711612
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)C(C)COC)NC1CC1
InChIInChI=1S/C16H32N2O3/c1-7-21-15(19)16(4,17-14-8-9-14)10-12(2)18(5)13(3)11-20-6/h12-14,17H,7-11H2,1-6H3
InChIKeyIJIVYVNUHNZWHB-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
ethyl 2-(cyclopropylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755269
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate (CID 64711612) is ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate is CCOC(=O)C(C)(CC(C)N(C)C(C)COC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate?
The InChIKey is IJIVYVNUHNZWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-21-15(19)16(4,17-14-8-9-14)10-12(2)18(5)13(3)11-20-6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate?
ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate is sourced from PubChem (CID 64711612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).