3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

C10H20N2O4 — CID 66176137

IUPAC3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)N(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-7(2)12(4)9(15)11-6-10(3,16)8(13)14/h7,16H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyHSUKJCVHXAVHJJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds5

About 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176137) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176137
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)N(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-7(2)12(4)9(15)11-6-10(3,16)8(13)14/h7,16H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyHSUKJCVHXAVHJJ-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 79386469
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744

Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66176137) is 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is CCC(C)N(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is HSUKJCVHXAVHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-7(2)12(4)9(15)11-6-10(3,16)8(13)14/h7,16H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).