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

C15H28N2O2 — CID 63918207

IUPACethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CC1CC1)C(C)C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16,13-7-8-13)10-17(11(2)3)9-12-5-6-12/h11-13H,4-10,16H2,1-3H3
InChIKeyUMGGBWWBZFSTSM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds8

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

ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate (PubChem CID 63918207) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
PubChem CID63918207
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CC1CC1)C(C)C)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16,13-7-8-13)10-17(11(2)3)9-12-5-6-12/h11-13H,4-10,16H2,1-3H3
InChIKeyUMGGBWWBZFSTSM-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propan-1-ol
CID 64825818
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]propanamide
CID 63918014
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate (CID 63918207) is ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate is CCOC(=O)C(N)(CN(CC1CC1)C(C)C)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate?
The InChIKey is UMGGBWWBZFSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-14(18)15(16,13-7-8-13)10-17(11(2)3)9-12-5-6-12/h11-13H,4-10,16H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 63918207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).