3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid

C10H20N2O4 — CID 66175333

IUPAC3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)NCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-7(2)11-5-8(13)12-6-10(3,16)9(14)15/h7,11,16H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUHXNOHJCRSHWMZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds7

About 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175333) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66175333
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCC(C)NCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-7(2)11-5-8(13)12-6-10(3,16)9(14)15/h7,11,16H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUHXNOHJCRSHWMZ-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 66177031
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66175333) is 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid is CCC(C)NCC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UHXNOHJCRSHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-7(2)11-5-8(13)12-6-10(3,16)9(14)15/h7,11,16H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).