(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

C11H19NO4 — CID 107833706

IUPAC(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1(C)C(C(=O)NC[C@H](O)C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-10(2)7(11(10,3)4)8(14)12-5-6(13)9(15)16/h6-7,13H,5H2,1-4H3,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyGDIXOCGAWKAFDV-LURJTMIESA-N
MW229.28 g/mol
LogP0.23
Rot. Bonds4

About (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 107833706) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID107833706
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1(C)C(C(=O)NC[C@H](O)C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-10(2)7(11(10,3)4)8(14)12-5-6(13)9(15)16/h6-7,13H,5H2,1-4H3,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyGDIXOCGAWKAFDV-LURJTMIESA-N
XLogP0.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
CID 66167867
(2S)-3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835745
N-(2-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 115737773
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477795
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 104964524
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477984
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 107833706) is (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is CC1(C)C(C(=O)NC[C@H](O)C(=O)O)C1(C)C.
What is the InChIKey of (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is GDIXOCGAWKAFDV-LURJTMIESA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2)7(11(10,3)4)8(14)12-5-6(13)9(15)16/h6-7,13H,5H2,1-4H3,(H,12,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107833706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).