ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate

C17H34N2O2 — CID 63909390

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

About ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate

ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate (PubChem CID 63909390) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
PubChem CID63909390
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
SMILESCCCCCN(CC(NC)(C(=O)OCC)C1CC1)C(C)C
InChIInChI=1S/C17H34N2O2/c1-6-8-9-12-19(14(3)4)13-17(18-5,15-10-11-15)16(20)21-7-2/h14-15,18H,6-13H2,1-5H3
InChIKeyUEVUOSXZHRDVBY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-methoxyethyl(propan-2-yl)amino]propanoate
CID 82942442
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
CID 64825369
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
CID 63909180
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate (CID 63909390) is ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate is CCCCCN(CC(NC)(C(=O)OCC)C1CC1)C(C)C.
What is the InChIKey of ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate?
The InChIKey is UEVUOSXZHRDVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-8-9-12-19(14(3)4)13-17(18-5,15-10-11-15)16(20)21-7-2/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate?
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]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-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 63909390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).