2-amino-2,3,3,3-tetrahydroxypropanoic acid

C3H7NO6 — CID 138667990

IUPAC2-amino-2,3,3,3-tetrahydroxypropanoic acid
SMILESNC(O)(C(=O)O)C(O)(O)O
InChIInChI=1S/C3H7NO6/c4-2(7,1(5)6)3(8,9)10/h7-10H,4H2,(H,5,6)
InChIKeyFYSQBWYYGJVYNV-UHFFFAOYSA-N
MW153.09 g/mol
LogP-3.65
Rot. Bonds2

About 2-amino-2,3,3,3-tetrahydroxypropanoic acid

2-amino-2,3,3,3-tetrahydroxypropanoic acid (PubChem CID 138667990) has the molecular formula C3H7NO6 and a molecular weight of 153.09 g/mol. Its IUPAC name is 2-amino-2,3,3,3-tetrahydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-2,3,3,3-tetrahydroxypropanoic acid
PubChem CID138667990
Molecular FormulaC3H7NO6
Molecular Weight153.09 g/mol
Exact Mass153.03
IUPAC Name2-amino-2,3,3,3-tetrahydroxypropanoic acid
SMILESNC(O)(C(=O)O)C(O)(O)O
InChIInChI=1S/C3H7NO6/c4-2(7,1(5)6)3(8,9)10/h7-10H,4H2,(H,5,6)
InChIKeyFYSQBWYYGJVYNV-UHFFFAOYSA-N
XLogP-3.65
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500153.09
LogP ≤ 5-3.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3,3-tetrahydroxypropanoic acid?
The IUPAC name of 2-amino-2,3,3,3-tetrahydroxypropanoic acid (CID 138667990) is 2-amino-2,3,3,3-tetrahydroxypropanoic acid.
What is the SMILES notation for 2-amino-2,3,3,3-tetrahydroxypropanoic acid?
The canonical SMILES for 2-amino-2,3,3,3-tetrahydroxypropanoic acid is NC(O)(C(=O)O)C(O)(O)O.
What is the InChIKey of 2-amino-2,3,3,3-tetrahydroxypropanoic acid?
The InChIKey is FYSQBWYYGJVYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO6/c4-2(7,1(5)6)3(8,9)10/h7-10H,4H2,(H,5,6).
What are the key properties of 2-amino-2,3,3,3-tetrahydroxypropanoic acid?
2-amino-2,3,3,3-tetrahydroxypropanoic acid has a molecular weight of 153.09 g/mol, XLogP of -3.65, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3,3-tetrahydroxypropanoic acid is sourced from PubChem (CID 138667990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).