3-amino-2-hydroxypropanoic acid;oxalic acid

C5H9NO7 — CID 162306436

IUPAC3-amino-2-hydroxypropanoic acid;oxalic acid
SMILESNCC(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H2O4/c4-1-2(5)3(6)7;3-1(4)2(5)6/h2,5H,1,4H2,(H,6,7);(H,3,4)(H,5,6)
InChIKeyXWPSVCZJPUMSMF-UHFFFAOYSA-N
MW195.13 g/mol
LogP-2.45
Rot. Bonds2

About 3-amino-2-hydroxypropanoic acid;oxalic acid

3-amino-2-hydroxypropanoic acid;oxalic acid (PubChem CID 162306436) has the molecular formula C5H9NO7 and a molecular weight of 195.13 g/mol. Its IUPAC name is 3-amino-2-hydroxypropanoic acid;oxalic acid.

Molecular Properties

Compound Name3-amino-2-hydroxypropanoic acid;oxalic acid
PubChem CID162306436
Molecular FormulaC5H9NO7
Molecular Weight195.13 g/mol
Exact Mass195.04
IUPAC Name3-amino-2-hydroxypropanoic acid;oxalic acid
SMILESNCC(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H2O4/c4-1-2(5)3(6)7;3-1(4)2(5)6/h2,5H,1,4H2,(H,6,7);(H,3,4)(H,5,6)
InChIKeyXWPSVCZJPUMSMF-UHFFFAOYSA-N
XLogP-2.45
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 5-2.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-amino-2-hydroxypropanoic acid;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
CID 139667914
3-aminopropane-1,2-diol;oxalic acid
CID 160945488
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
4-amino-3-hydroxybutan-2-one
CID 22025309
6-amino-2-hydroxyhexanoic acid
CID 517029
2,3-dihydroxypropanoic acid
CID 175601105
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
cobalt;bis(ethane-1,2-diamine);oxalic acid
CID 50897291
4-amino-3-hydroxybutan-2-one;molecular hydrogen
CID 144542885

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxypropanoic acid;oxalic acid?
The IUPAC name of 3-amino-2-hydroxypropanoic acid;oxalic acid (CID 162306436) is 3-amino-2-hydroxypropanoic acid;oxalic acid.
What is the SMILES notation for 3-amino-2-hydroxypropanoic acid;oxalic acid?
The canonical SMILES for 3-amino-2-hydroxypropanoic acid;oxalic acid is NCC(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxypropanoic acid;oxalic acid?
The InChIKey is XWPSVCZJPUMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.C2H2O4/c4-1-2(5)3(6)7;3-1(4)2(5)6/h2,5H,1,4H2,(H,6,7);(H,3,4)(H,5,6).
What are the key properties of 3-amino-2-hydroxypropanoic acid;oxalic acid?
3-amino-2-hydroxypropanoic acid;oxalic acid has a molecular weight of 195.13 g/mol, XLogP of -2.45, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxypropanoic acid;oxalic acid is sourced from PubChem (CID 162306436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).