2-amino-2-(oxiran-2-ylmethyl)butanoic acid

C7H13NO3 — CID 150501447

IUPAC2-amino-2-(oxiran-2-ylmethyl)butanoic acid
SMILESCCC(N)(CC1CO1)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-7(8,6(9)10)3-5-4-11-5/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyHXXCEYBDEHEORL-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-2-(oxiran-2-ylmethyl)butanoic acid

2-amino-2-(oxiran-2-ylmethyl)butanoic acid (PubChem CID 150501447) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-amino-2-(oxiran-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(oxiran-2-ylmethyl)butanoic acid
PubChem CID150501447
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-amino-2-(oxiran-2-ylmethyl)butanoic acid
SMILESCCC(N)(CC1CO1)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-7(8,6(9)10)3-5-4-11-5/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyHXXCEYBDEHEORL-UHFFFAOYSA-N
XLogP-0.03
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxiran-2-ylmethyl)butanoic acid?
The IUPAC name of 2-amino-2-(oxiran-2-ylmethyl)butanoic acid (CID 150501447) is 2-amino-2-(oxiran-2-ylmethyl)butanoic acid.
What is the SMILES notation for 2-amino-2-(oxiran-2-ylmethyl)butanoic acid?
The canonical SMILES for 2-amino-2-(oxiran-2-ylmethyl)butanoic acid is CCC(N)(CC1CO1)C(=O)O.
What is the InChIKey of 2-amino-2-(oxiran-2-ylmethyl)butanoic acid?
The InChIKey is HXXCEYBDEHEORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(8,6(9)10)3-5-4-11-5/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(oxiran-2-ylmethyl)butanoic acid?
2-amino-2-(oxiran-2-ylmethyl)butanoic acid has a molecular weight of 159.18 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxiran-2-ylmethyl)butanoic acid is sourced from PubChem (CID 150501447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).