5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid

C11H19NO5 — CID 62935261

IUPAC5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOC(=O)CN(C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,6-9(14)15)5-8(13)12(3)7-10(16)17-4/h5-7H2,1-4H3,(H,14,15)
InChIKeyAKSUUEKSYSOSRP-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.51
Rot. Bonds6

About 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62935261) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62935261
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOC(=O)CN(C)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,6-9(14)15)5-8(13)12(3)7-10(16)17-4/h5-7H2,1-4H3,(H,14,15)
InChIKeyAKSUUEKSYSOSRP-UHFFFAOYSA-N
XLogP0.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128188
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
methyl 2-[diethylcarbamoyl(methyl)amino]acetate
CID 79161782
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
CID 115426447
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 62933867
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
CID 43407455
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933567

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62935261) is 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid is COC(=O)CN(C)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is AKSUUEKSYSOSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,6-9(14)15)5-8(13)12(3)7-10(16)17-4/h5-7H2,1-4H3,(H,14,15).
What are the key properties of 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62935261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).