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

C15H28N2O2 — CID 63910163

IUPACethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
SMILESCCCN(CC1CC1)CC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17(10-12-5-6-12)11-15(16,13-7-8-13)14(18)19-4-2/h12-13H,3-11,16H2,1-2H3
InChIKeySRUWZKQCNFHUBG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds9

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

ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate (PubChem CID 63910163) 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(propyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
PubChem CID63910163
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
SMILESCCCN(CC1CC1)CC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17(10-12-5-6-12)11-15(16,13-7-8-13)14(18)19-4-2/h12-13H,3-11,16H2,1-2H3
InChIKeySRUWZKQCNFHUBG-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
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-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate
CID 61238525
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate (CID 63910163) is ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate is CCCN(CC1CC1)CC(N)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate?
The InChIKey is SRUWZKQCNFHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-17(10-12-5-6-12)11-15(16,13-7-8-13)14(18)19-4-2/h12-13H,3-11,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.78, 9 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(propyl)amino]propanoate is sourced from PubChem (CID 63910163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).