2,2-diamino-4-hydroxybutanoic acid

C4H10N2O3 — CID 21257162

IUPAC2,2-diamino-4-hydroxybutanoic acid
SMILESNC(N)(CCO)C(=O)O
InChIInChI=1S/C4H10N2O3/c5-4(6,1-2-7)3(8)9/h7H,1-2,5-6H2,(H,8,9)
InChIKeyDGDUGNDZGZFPHF-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.93
Rot. Bonds3

About 2,2-diamino-4-hydroxybutanoic acid

2,2-diamino-4-hydroxybutanoic acid (PubChem CID 21257162) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,2-diamino-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2,2-diamino-4-hydroxybutanoic acid
PubChem CID21257162
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name2,2-diamino-4-hydroxybutanoic acid
SMILESNC(N)(CCO)C(=O)O
InChIInChI=1S/C4H10N2O3/c5-4(6,1-2-7)3(8)9/h7H,1-2,5-6H2,(H,8,9)
InChIKeyDGDUGNDZGZFPHF-UHFFFAOYSA-N
XLogP-1.93
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
azane;2,2-diaminoheptanedioic acid
CID 174813114
2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid
CID 87311059
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
2,2,3,3-tetrafluoro-5-hydroxypentanoic acid
CID 154295532
1-aminopropane-1,1,3-triol
CID 54460463
2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
CID 139601458
2,2-diamino-4-fluoro-4-methylpentanoic acid
CID 91251901

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-4-hydroxybutanoic acid?
The IUPAC name of 2,2-diamino-4-hydroxybutanoic acid (CID 21257162) is 2,2-diamino-4-hydroxybutanoic acid.
What is the SMILES notation for 2,2-diamino-4-hydroxybutanoic acid?
The canonical SMILES for 2,2-diamino-4-hydroxybutanoic acid is NC(N)(CCO)C(=O)O.
What is the InChIKey of 2,2-diamino-4-hydroxybutanoic acid?
The InChIKey is DGDUGNDZGZFPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c5-4(6,1-2-7)3(8)9/h7H,1-2,5-6H2,(H,8,9).
What are the key properties of 2,2-diamino-4-hydroxybutanoic acid?
2,2-diamino-4-hydroxybutanoic acid has a molecular weight of 134.14 g/mol, XLogP of -1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-4-hydroxybutanoic acid is sourced from PubChem (CID 21257162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).