ethyl 2-(3-ethylpentan-2-ylamino)propanoate

C12H25NO2 — CID 63836704

IUPACethyl 2-(3-ethylpentan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)C(CC)CC
InChIInChI=1S/C12H25NO2/c1-6-11(7-2)9(4)13-10(5)12(14)15-8-3/h9-11,13H,6-8H2,1-5H3
InChIKeyWVAADMHSQCOXEQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-(3-ethylpentan-2-ylamino)propanoate

ethyl 2-(3-ethylpentan-2-ylamino)propanoate (PubChem CID 63836704) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-(3-ethylpentan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethylpentan-2-ylamino)propanoate
PubChem CID63836704
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-(3-ethylpentan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC(C)C(CC)CC
InChIInChI=1S/C12H25NO2/c1-6-11(7-2)9(4)13-10(5)12(14)15-8-3/h9-11,13H,6-8H2,1-5H3
InChIKeyWVAADMHSQCOXEQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanoate
CID 106160495
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
CID 172703702
CID 172703702
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
ethyl (2S)-2-acetamidopropanoate
CID 11805045
(2S)-2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
CID 18597313
ethyl 2-(heptylamino)propanoate
CID 61498650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylpentan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(3-ethylpentan-2-ylamino)propanoate (CID 63836704) is ethyl 2-(3-ethylpentan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-ethylpentan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(3-ethylpentan-2-ylamino)propanoate is CCOC(=O)C(C)NC(C)C(CC)CC.
What is the InChIKey of ethyl 2-(3-ethylpentan-2-ylamino)propanoate?
The InChIKey is WVAADMHSQCOXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(7-2)9(4)13-10(5)12(14)15-8-3/h9-11,13H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(3-ethylpentan-2-ylamino)propanoate?
ethyl 2-(3-ethylpentan-2-ylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylpentan-2-ylamino)propanoate is sourced from PubChem (CID 63836704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).