ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate

C17H34N2O2 — CID 63909152

IUPACethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)N(C)CC(NC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H34N2O2/c1-7-9-14(5)19(6)12-17(15-10-11-15,18-13(3)4)16(20)21-8-2/h13-15,18H,7-12H2,1-6H3
InChIKeyRDKJYUKARZIZRB-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds10

About ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate

ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate (PubChem CID 63909152) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
PubChem CID63909152
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)N(C)CC(NC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H34N2O2/c1-7-9-14(5)19(6)12-17(15-10-11-15,18-13(3)4)16(20)21-8-2/h13-15,18H,7-12H2,1-6H3
InChIKeyRDKJYUKARZIZRB-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate 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

methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 79178055
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63920958
ethyl 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 79672422
ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate (CID 63909152) is ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate is CCCC(C)N(C)CC(NC(C)C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The InChIKey is RDKJYUKARZIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-9-14(5)19(6)12-17(15-10-11-15,18-13(3)4)16(20)21-8-2/h13-15,18H,7-12H2,1-6H3.
What are the key properties of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63909152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).