(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid

C8H16N2O4 — CID 80750284

IUPAC(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
SMILESCNC(C)(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(2,9-3)7(14)10-5(4-11)6(12)13/h5,9,11H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1
InChIKeyDXVKJIFLVQHJQG-RXMQYKEDSA-N
MW204.23 g/mol
LogP-1.45
Rot. Bonds5

About (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid (PubChem CID 80750284) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
PubChem CID80750284
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
SMILESCNC(C)(C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(2,9-3)7(14)10-5(4-11)6(12)13/h5,9,11H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1
InChIKeyDXVKJIFLVQHJQG-RXMQYKEDSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 104905669
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
2-methyl-2-(methylamino)-N-pentan-3-ylpropanamide
CID 62836185
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 106161614

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid (CID 80750284) is (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid is CNC(C)(C)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid?
The InChIKey is DXVKJIFLVQHJQG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2,9-3)7(14)10-5(4-11)6(12)13/h5,9,11H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 80750284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).