2-amino-3-hydroxybutanedioic acid

C4H7NO5 — CID 5425

IUPAC2-amino-3-hydroxybutanedioic acid
SMILESNC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
InChIKeyYYLQUHNPNCGKJQ-UHFFFAOYSA-N
MW149.10 g/mol
LogP-2.16
Rot. Bonds3

About 2-amino-3-hydroxybutanedioic acid

2-amino-3-hydroxybutanedioic acid (PubChem CID 5425) has the molecular formula C4H7NO5 and a molecular weight of 149.10 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanedioic acid
PubChem CID5425
Molecular FormulaC4H7NO5
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name2-amino-3-hydroxybutanedioic acid
SMILESNC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
InChIKeyYYLQUHNPNCGKJQ-UHFFFAOYSA-N
XLogP-2.16
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

DL-threo-beta-Hydroxyaspartic acid
CID 443239
beta-Hydroxy-L-aspartic acid
CID 14463
4-Hydroxy-L-threonine
CID 193577
(3R)-3-hydroxy-D-aspartic acid
CID 11788378
L-erythro-3-hydroxyaspartate
CID 28125549
2-Amino-3,4-dihydroxybutanoic acid
CID 3914727
(3S)-3-hydroxy-D-aspartic acid
CID 6603868
(3S)-2-amino-3-hydroxybutanedioic acid
CID 16760021
(2S, 3S)-3-Amino-2-methoxy-pentanedioic acid
CID 12047098
1-Butanol, 2-amino-, (2R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:?)
CID 13437274
(2R,3S)-2-Amino-3,4-dihydroxybutanoic acid
CID 9815262
(2-Hydroxyethyl)ammonium hydrogen tartrate
CID 25087196

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanedioic acid?
The IUPAC name of 2-amino-3-hydroxybutanedioic acid (CID 5425) is 2-amino-3-hydroxybutanedioic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanedioic acid?
The canonical SMILES for 2-amino-3-hydroxybutanedioic acid is NC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutanedioic acid?
The InChIKey is YYLQUHNPNCGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10).
What are the key properties of 2-amino-3-hydroxybutanedioic acid?
2-amino-3-hydroxybutanedioic acid has a molecular weight of 149.10 g/mol, XLogP of -2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanedioic acid is sourced from PubChem (CID 5425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).