4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

C13H23NO5 — CID 65302746

IUPAC4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCC(C)C(NC(=O)CC(C)(C)C(=O)O)C(=O)OC
InChIInChI=1S/C13H23NO5/c1-6-8(2)10(11(16)19-5)14-9(15)7-13(3,4)12(17)18/h8,10H,6-7H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyGLAOGVCAQHRBEM-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.19
Rot. Bonds7

About 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302746) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302746
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCC(C)C(NC(=O)CC(C)(C)C(=O)O)C(=O)OC
InChIInChI=1S/C13H23NO5/c1-6-8(2)10(11(16)19-5)14-9(15)7-13(3,4)12(17)18/h8,10H,6-7H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyGLAOGVCAQHRBEM-UHFFFAOYSA-N
XLogP1.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
CID 60941337
4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61142963
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
methyl (2S,3S)-2-(3-cyanopropanoylamino)-3-methylpentanoate
CID 100927698
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
CID 94234133
methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
CID 62012650

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302746) is 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCC(C)C(NC(=O)CC(C)(C)C(=O)O)C(=O)OC.
What is the InChIKey of 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is GLAOGVCAQHRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-6-8(2)10(11(16)19-5)14-9(15)7-13(3,4)12(17)18/h8,10H,6-7H2,1-5H3,(H,14,15)(H,17,18).
What are the key properties of 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).