2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid

C6H11NO3 — CID 150543821

IUPAC2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)N1CC1
InChIInChI=1S/C6H11NO3/c1-6(4-8,5(9)10)7-2-3-7/h8H,2-4H2,1H3,(H,9,10)
InChIKeyIGLAGQQNOQNONC-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.86
Rot. Bonds3

About 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid

2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 150543821) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
PubChem CID150543821
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)N1CC1
InChIInChI=1S/C6H11NO3/c1-6(4-8,5(9)10)7-2-3-7/h8H,2-4H2,1H3,(H,9,10)
InChIKeyIGLAGQQNOQNONC-UHFFFAOYSA-N
XLogP-0.86
TPSA60.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2-(4-ethylpiperazin-1-yl)-3-methoxy-2-methylpropanoic acid
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2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285
2-(azepan-1-yl)-2,4-dimethylpentanoic acid
CID 61057943
2-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 131049022
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
3-methoxy-2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 82239376
4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
CID 43803216
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid (CID 150543821) is 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid is CC(CO)(C(=O)O)N1CC1.
What is the InChIKey of 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is IGLAGQQNOQNONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(4-8,5(9)10)7-2-3-7/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid?
2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 150543821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).