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

C12H24N2O3 — CID 103108458

IUPACmethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
SMILESCCN(C)C(=O)C(C)NC(C)C(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-7-14(5)11(15)10(4)13-9(3)8(2)12(16)17-6/h8-10,13H,7H2,1-6H3
InChIKeyQRFHVRCVWLPGMB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds6

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

methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate (PubChem CID 103108458) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
PubChem CID103108458
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
SMILESCCN(C)C(=O)C(C)NC(C)C(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-7-14(5)11(15)10(4)13-9(3)8(2)12(16)17-6/h8-10,13H,7H2,1-6H3
InChIKeyQRFHVRCVWLPGMB-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate with MolForge

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Related Compounds

2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 79391217
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
CID 103108377
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
CID 89069924
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate (CID 103108458) is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate is CCN(C)C(=O)C(C)NC(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate?
The InChIKey is QRFHVRCVWLPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-14(5)11(15)10(4)13-9(3)8(2)12(16)17-6/h8-10,13H,7H2,1-6H3.
What are the key properties of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate?
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate has a molecular weight of 244.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate is sourced from PubChem (CID 103108458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).