[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate

C22H38N2O10 — CID 157304502

IUPAC[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O.COC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O
InChIInChI=1S/2C11H19NO5/c2*1-7(13)6-12(4)10(14)8(2)17-11(15)9(3)16-5/h2*8-9H,6H2,1-5H3
InChIKeyBCHIWQHLZVYZBP-UHFFFAOYSA-N
MW490.55 g/mol
LogP0.00
Rot. Bonds12

About [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate

[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate (PubChem CID 157304502) has the molecular formula C22H38N2O10 and a molecular weight of 490.55 g/mol. Its IUPAC name is [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate.

Molecular Properties

Compound Name[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate
PubChem CID157304502
Molecular FormulaC22H38N2O10
Molecular Weight490.55 g/mol
Exact Mass490.25
IUPAC Name[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O.COC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O
InChIInChI=1S/2C11H19NO5/c2*1-7(13)6-12(4)10(14)8(2)17-11(15)9(3)16-5/h2*8-9H,6H2,1-5H3
InChIKeyBCHIWQHLZVYZBP-UHFFFAOYSA-N
XLogP0.00
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
CID 159152488
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylpropanamide
CID 115674309
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
methyl (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-dimethylgallanyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 139239326
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate?
The IUPAC name of [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate (CID 157304502) is [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate.
What is the SMILES notation for [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate?
The canonical SMILES for [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate is COC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O.COC(C)C(=O)OC(C)C(=O)N(C)CC(C)=O.
What is the InChIKey of [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate?
The InChIKey is BCHIWQHLZVYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19NO5/c2*1-7(13)6-12(4)10(14)8(2)17-11(15)9(3)16-5/h2*8-9H,6H2,1-5H3.
What are the key properties of [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate?
[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate has a molecular weight of 490.55 g/mol, XLogP of 0.00, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate is sourced from PubChem (CID 157304502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).