(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid

C10H20N2O4 — CID 80750707

IUPAC(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(N)C(C)(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-9(2,10(3,4)11)8(16)12-6(5-13)7(14)15/h6,13H,5,11H2,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1
InChIKeyXPFYYCWLTHJXRL-ZCFIWIBFSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds5

About (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 80750707) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
PubChem CID80750707
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
SMILESCC(C)(N)C(C)(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-9(2,10(3,4)11)8(16)12-6(5-13)7(14)15/h6,13H,5,11H2,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1
InChIKeyXPFYYCWLTHJXRL-ZCFIWIBFSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid
CID 65267314
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 80750284
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
CID 65267384
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid (CID 80750707) is (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid is CC(C)(N)C(C)(C)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is XPFYYCWLTHJXRL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-9(2,10(3,4)11)8(16)12-6(5-13)7(14)15/h6,13H,5,11H2,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).