2-amino-3-hydroxypropanoic acid;oxalic acid

C5H9NO7 — CID 174377676

IUPAC2-amino-3-hydroxypropanoic acid;oxalic acid
SMILESNC(CO)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H2O4/c4-2(1-5)3(6)7;3-1(4)2(5)6/h2,5H,1,4H2,(H,6,7);(H,3,4)(H,5,6)
InChIKeyRMHKWVDPXUYWNY-UHFFFAOYSA-N
MW195.13 g/mol
LogP-2.45
Rot. Bonds2

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

2-amino-3-hydroxypropanoic acid;oxalic acid (PubChem CID 174377676) has the molecular formula C5H9NO7 and a molecular weight of 195.13 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;oxalic acid.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;oxalic acid
PubChem CID174377676
Molecular FormulaC5H9NO7
Molecular Weight195.13 g/mol
Exact Mass195.04
IUPAC Name2-amino-3-hydroxypropanoic acid;oxalic acid
SMILESNC(CO)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H2O4/c4-2(1-5)3(6)7;3-1(4)2(5)6/h2,5H,1,4H2,(H,6,7);(H,3,4)(H,5,6)
InChIKeyRMHKWVDPXUYWNY-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'}

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;oxalic acid?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;oxalic acid (CID 174377676) is 2-amino-3-hydroxypropanoic acid;oxalic acid.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;oxalic acid?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;oxalic acid is NC(CO)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;oxalic acid?
The InChIKey is RMHKWVDPXUYWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.C2H2O4/c4-2(1-5)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 2-amino-3-hydroxypropanoic acid;oxalic acid?
2-amino-3-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 2-amino-3-hydroxypropanoic acid;oxalic acid is sourced from PubChem (CID 174377676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).