2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid

C9H17NO4 — CID 66172744

IUPAC2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
SMILESCC(C)CC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)4-7(11)10-5-9(3,14)8(12)13/h6,14H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyFERAGFWEISAFBC-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid

2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid (PubChem CID 66172744) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
PubChem CID66172744
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
SMILESCC(C)CC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)4-7(11)10-5-9(3,14)8(12)13/h6,14H,4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyFERAGFWEISAFBC-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
2-hydroxy-2-methyl-3-[(2-methylsulfanylacetyl)amino]propanoic acid
CID 66171975
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 66176778
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid (CID 66172744) is 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid is CC(C)CC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid?
The InChIKey is FERAGFWEISAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)4-7(11)10-5-9(3,14)8(12)13/h6,14H,4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid is sourced from PubChem (CID 66172744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).