amino 2-amino-2-hydroxybutanoate

C4H10N2O3 — CID 175534559

IUPACamino 2-amino-2-hydroxybutanoate
SMILESCCC(N)(O)C(=O)ON
InChIInChI=1S/C4H10N2O3/c1-2-4(5,8)3(7)9-6/h8H,2,5-6H2,1H3
InChIKeyDNWXTGWWIIIUGU-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.54
Rot. Bonds2

About amino 2-amino-2-hydroxybutanoate

amino 2-amino-2-hydroxybutanoate (PubChem CID 175534559) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is amino 2-amino-2-hydroxybutanoate.

Molecular Properties

Compound Nameamino 2-amino-2-hydroxybutanoate
PubChem CID175534559
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Nameamino 2-amino-2-hydroxybutanoate
SMILESCCC(N)(O)C(=O)ON
InChIInChI=1S/C4H10N2O3/c1-2-4(5,8)3(7)9-6/h8H,2,5-6H2,1H3
InChIKeyDNWXTGWWIIIUGU-UHFFFAOYSA-N
XLogP-1.54
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-amino-2-hydroxybutanoate?
The IUPAC name of amino 2-amino-2-hydroxybutanoate (CID 175534559) is amino 2-amino-2-hydroxybutanoate.
What is the SMILES notation for amino 2-amino-2-hydroxybutanoate?
The canonical SMILES for amino 2-amino-2-hydroxybutanoate is CCC(N)(O)C(=O)ON.
What is the InChIKey of amino 2-amino-2-hydroxybutanoate?
The InChIKey is DNWXTGWWIIIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c1-2-4(5,8)3(7)9-6/h8H,2,5-6H2,1H3.
What are the key properties of amino 2-amino-2-hydroxybutanoate?
amino 2-amino-2-hydroxybutanoate has a molecular weight of 134.14 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-2-hydroxybutanoate is sourced from PubChem (CID 175534559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).