2-amino-2-hydroxybutanedioic acid

C4H7NO5 — CID 10313218

IUPAC2-amino-2-hydroxybutanedioic acid
SMILESNC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-4(10,3(8)9)1-2(6)7/h10H,1,5H2,(H,6,7)(H,8,9)
InChIKeyDZYHJDLBFUOKBD-UHFFFAOYSA-N
MW149.10 g/mol
LogP-1.81
Rot. Bonds3

About 2-amino-2-hydroxybutanedioic acid

2-amino-2-hydroxybutanedioic acid (PubChem CID 10313218) has the molecular formula C4H7NO5 and a molecular weight of 149.10 g/mol. Its IUPAC name is 2-amino-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-amino-2-hydroxybutanedioic acid
PubChem CID10313218
Molecular FormulaC4H7NO5
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name2-amino-2-hydroxybutanedioic acid
SMILESNC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO5/c5-4(10,3(8)9)1-2(6)7/h10H,1,5H2,(H,6,7)(H,8,9)
InChIKeyDZYHJDLBFUOKBD-UHFFFAOYSA-N
XLogP-1.81
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 ≤ 5-1.81
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

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
CID 173238603
CID 173238603
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);sulfuric acid
CID 157056934
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173061207

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxybutanedioic acid?
The IUPAC name of 2-amino-2-hydroxybutanedioic acid (CID 10313218) is 2-amino-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-amino-2-hydroxybutanedioic acid?
The canonical SMILES for 2-amino-2-hydroxybutanedioic acid is NC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2-hydroxybutanedioic acid?
The InChIKey is DZYHJDLBFUOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO5/c5-4(10,3(8)9)1-2(6)7/h10H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-amino-2-hydroxybutanedioic acid?
2-amino-2-hydroxybutanedioic acid has a molecular weight of 149.10 g/mol, XLogP of -1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxybutanedioic acid is sourced from PubChem (CID 10313218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).