4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid

C11H20N2O5 — CID 65048259

IUPAC4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCOCC(NC(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-7(2)8(6-18-3)12-11(17)13-9(14)4-5-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJSJIUFDOSFVPSL-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.35
Rot. Bonds7

About 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid

4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 65048259) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID65048259
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCOCC(NC(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-7(2)8(6-18-3)12-11(17)13-9(14)4-5-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJSJIUFDOSFVPSL-UHFFFAOYSA-N
XLogP0.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 65048210
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobut-2-enoic acid
CID 77055930
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid (CID 65048259) is 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid is COCC(NC(=O)NC(=O)CCC(=O)O)C(C)C.
What is the InChIKey of 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is JSJIUFDOSFVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(2)8(6-18-3)12-11(17)13-9(14)4-5-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid?
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 65048259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).