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

C17H34N2O2 — CID 63911314

IUPACethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(C)C(C)CCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H34N2O2/c1-6-9-14(4)19(5)13-17(15-10-11-15,18-12-7-2)16(20)21-8-3/h14-15,18H,6-13H2,1-5H3
InChIKeyYEAYGCXCSYQBJU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds11

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

ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate (PubChem CID 63911314) 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-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
PubChem CID63911314
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(C)C(C)CCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H34N2O2/c1-6-9-14(4)19(5)13-17(15-10-11-15,18-12-7-2)16(20)21-8-3/h14-15,18H,6-13H2,1-5H3
InChIKeyYEAYGCXCSYQBJU-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate (CID 63911314) is ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate is CCCNC(CN(C)C(C)CCC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate?
The InChIKey is YEAYGCXCSYQBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-9-14(4)19(5)13-17(15-10-11-15,18-12-7-2)16(20)21-8-3/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate?
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 11 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-(propylamino)propanoate is sourced from PubChem (CID 63911314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).