4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C13H23NO5 — CID 61499247

IUPAC4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCOC(=O)C(C)NC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H23NO5/c1-6-19-11(16)9(4)14-10(15)7-13(5,8(2)3)12(17)18/h8-9H,6-7H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyQMZWMCBCEGVVOK-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.19
Rot. Bonds7

About 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 61499247) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID61499247
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCOC(=O)C(C)NC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H23NO5/c1-6-19-11(16)9(4)14-10(15)7-13(5,8(2)3)12(17)18/h8-9H,6-7H2,1-5H3,(H,14,15)(H,17,18)
InChIKeyQMZWMCBCEGVVOK-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

Analyze 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid with MolForge

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Related Compounds

2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
2-methyl-4-(3-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 54949758
4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61142963
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 43529154
4-(2-methoxyethoxyamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 82706184
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
ethyl 2-(3,5-dimethylhexanoylamino)propanoate
CID 71879687
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214917
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
ethyl (2S)-2-acetamidopropanoate
CID 11805045

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 61499247) is 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCOC(=O)C(C)NC(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is QMZWMCBCEGVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-6-19-11(16)9(4)14-10(15)7-13(5,8(2)3)12(17)18/h8-9H,6-7H2,1-5H3,(H,14,15)(H,17,18).
What are the key properties of 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic 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-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 61499247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).