ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate

C16H31NO3 — CID 63919943

IUPACethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
SMILESCCCCC(CC)COCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-4-7-8-13(5-2)11-19-12-16(17,14-9-10-14)15(18)20-6-3/h13-14H,4-12,17H2,1-3H3
InChIKeyIJHYSJLPWFLMBB-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.89
Rot. Bonds11

About ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate

ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate (PubChem CID 63919943) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
PubChem CID63919943
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
SMILESCCCCC(CC)COCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-4-7-8-13(5-2)11-19-12-16(17,14-9-10-14)15(18)20-6-3/h13-14H,4-12,17H2,1-3H3
InChIKeyIJHYSJLPWFLMBB-UHFFFAOYSA-N
XLogP2.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
CID 63906066
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
ethyl 2-ethylhexyl carbonate
CID 54194012
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838
2-ethylhexyl 3-cyclopentylpropanoate
CID 543877
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate (CID 63919943) is ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate is CCCCC(CC)COCC(N)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate?
The InChIKey is IJHYSJLPWFLMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-7-8-13(5-2)11-19-12-16(17,14-9-10-14)15(18)20-6-3/h13-14H,4-12,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate has a molecular weight of 285.43 g/mol, XLogP of 2.89, 11 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-(2-ethylhexoxy)propanoate is sourced from PubChem (CID 63919943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).