methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate

C11H22N2O3 — CID 79391217

IUPACmethyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
SMILESCCNC(=O)C(C)NC(C)C(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-12-10(14)9(4)13-8(3)7(2)11(15)16-5/h7-9,13H,6H2,1-5H3,(H,12,14)
InChIKeyILNLWNJIQOGFEG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds6

About methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate

methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate (PubChem CID 79391217) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
PubChem CID79391217
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
SMILESCCNC(=O)C(C)NC(C)C(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-12-10(14)9(4)13-8(3)7(2)11(15)16-5/h7-9,13H,6H2,1-5H3,(H,12,14)
InChIKeyILNLWNJIQOGFEG-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 103108458
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
CID 83177660
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 61463653
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate (CID 79391217) is methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate is CCNC(=O)C(C)NC(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The InChIKey is ILNLWNJIQOGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-12-10(14)9(4)13-8(3)7(2)11(15)16-5/h7-9,13H,6H2,1-5H3,(H,12,14).
What are the key properties of methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate?
methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate has a molecular weight of 230.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate is sourced from PubChem (CID 79391217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).