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

C11H22N2O3 — CID 103108828

IUPACmethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCN(C)C(=O)C(C)NC(C)CC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-13(4)11(15)9(3)12-8(2)7-10(14)16-5/h8-9,12H,6-7H2,1-5H3
InChIKeyMSFSRJOCYXHREZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.39
Rot. Bonds6

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

methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate (PubChem CID 103108828) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
PubChem CID103108828
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCN(C)C(=O)C(C)NC(C)CC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-6-13(4)11(15)9(3)12-8(2)7-10(14)16-5/h8-9,12H,6-7H2,1-5H3
InChIKeyMSFSRJOCYXHREZ-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 103108458
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
CID 103108377
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 61464849
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate (CID 103108828) is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate.
What is the SMILES notation for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The canonical SMILES for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate is CCN(C)C(=O)C(C)NC(C)CC(=O)OC.
What is the InChIKey of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The InChIKey is MSFSRJOCYXHREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(4)11(15)9(3)12-8(2)7-10(14)16-5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.39, 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]butanoate is sourced from PubChem (CID 103108828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).