2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid

C9H16N2O3 — CID 22341714

IUPAC2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid
SMILESCC(C)C(N)C(=O)C1CCN1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(2)7(10)8(12)6-3-4-11(6)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyKNNNJFIOFZLEOG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.29
Rot. Bonds3

About 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid

2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid (PubChem CID 22341714) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid
PubChem CID22341714
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid
SMILESCC(C)C(N)C(=O)C1CCN1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(2)7(10)8(12)6-3-4-11(6)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyKNNNJFIOFZLEOG-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid?
The IUPAC name of 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid (CID 22341714) is 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid is CC(C)C(N)C(=O)C1CCN1C(=O)O.
What is the InChIKey of 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid?
The InChIKey is KNNNJFIOFZLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(2)7(10)8(12)6-3-4-11(6)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid?
2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 22341714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).