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

C14H28N2O2 — CID 63910108

IUPACethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
SMILESCCCN(CC(N)(C(=O)OCC)C1CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-9-16(11(3)4)10-14(15,12-7-8-12)13(17)18-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyVSKIWHWHYFRYDO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds8

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

ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate (PubChem CID 63910108) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
PubChem CID63910108
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
SMILESCCCN(CC(N)(C(=O)OCC)C1CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-9-16(11(3)4)10-14(15,12-7-8-12)13(17)18-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyVSKIWHWHYFRYDO-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
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-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207
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-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
CID 63919688
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-methoxyethyl(propan-2-yl)amino]propanoate
CID 82942442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate (CID 63910108) is ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate is CCCN(CC(N)(C(=O)OCC)C1CC1)C(C)C.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate?
The InChIKey is VSKIWHWHYFRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-9-16(11(3)4)10-14(15,12-7-8-12)13(17)18-6-2/h11-12H,5-10,15H2,1-4H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate has a molecular weight of 256.39 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-[propan-2-yl(propyl)amino]propanoate is sourced from PubChem (CID 63910108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).