methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate

C15H29NO5 — CID 176761330

IUPACmethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate
SMILESCOCCN(C(=O)CC(C)(C)C)C(COC)CC(=O)OC
InChIInChI=1S/C15H29NO5/c1-15(2,3)10-13(17)16(7-8-19-4)12(11-20-5)9-14(18)21-6/h12H,7-11H2,1-6H3
InChIKeyRQOOTOKXOPUGCO-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.48
Rot. Bonds9

About methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate

methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate (PubChem CID 176761330) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate
PubChem CID176761330
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Namemethyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate
SMILESCOCCN(C(=O)CC(C)(C)C)C(COC)CC(=O)OC
InChIInChI=1S/C15H29NO5/c1-15(2,3)10-13(17)16(7-8-19-4)12(11-20-5)9-14(18)21-6/h12H,7-11H2,1-6H3
InChIKeyRQOOTOKXOPUGCO-UHFFFAOYSA-N
XLogP1.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 134919429
methyl (2R,4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 101924407
(1,3,3-Trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
CID 59933630
Methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]-4-formyloxybutanoate
CID 118013960
Methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate
CID 155442274
Methyl 4-methoxy-3-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 169107927
dimethyl N-acetyl-N-(2-methoxyethyl)aspartate
CID 16462814
dimethyl (2S)-2-[acetyl(2-methoxyethyl)amino]butanedioate
CID 42100929
dimethyl (2R)-2-[acetyl(2-methoxyethyl)amino]butanedioate
CID 42100930
4-[Butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299755
4-[2-Methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299802
4-[Ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302026

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate?
The IUPAC name of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate (CID 176761330) is methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate.
What is the SMILES notation for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate?
The canonical SMILES for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate is COCCN(C(=O)CC(C)(C)C)C(COC)CC(=O)OC.
What is the InChIKey of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate?
The InChIKey is RQOOTOKXOPUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-15(2,3)10-13(17)16(7-8-19-4)12(11-20-5)9-14(18)21-6/h12H,7-11H2,1-6H3.
What are the key properties of methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate?
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate has a molecular weight of 303.40 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate is sourced from PubChem (CID 176761330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).