(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid

C11H20N2O5 — CID 80750475

IUPAC(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(12-10(18)11(2,3)4)8(15)13-7(5-14)9(16)17/h6-7,14H,5H2,1-4H3,(H,12,18)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyAXRUMCVNPMYHCW-COBSHVIPSA-N
MW260.29 g/mol
LogP-0.90
Rot. Bonds5

About (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid

(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 80750475) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
PubChem CID80750475
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(12-10(18)11(2,3)4)8(15)13-7(5-14)9(16)17/h6-7,14H,5H2,1-4H3,(H,12,18)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyAXRUMCVNPMYHCW-COBSHVIPSA-N
XLogP-0.90
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
3-hydroxy-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141364905
2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]-3-hydroxypropanoic acid
CID 18232597
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 175876842
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246522
2-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxypropanoic acid
CID 22702472
N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177
2-(2,2-dimethylpropanoylamino)-3-sulfopropanoic acid
CID 134470772
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 18232677
2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 22702765
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 80750284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid (CID 80750475) is (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid is CC(NC(=O)C(C)(C)C)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is AXRUMCVNPMYHCW-COBSHVIPSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(12-10(18)11(2,3)4)8(15)13-7(5-14)9(16)17/h6-7,14H,5H2,1-4H3,(H,12,18)(H,13,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid?
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).