2,3-dihydroxypropanoic acid;2-oxopropanoic acid

C6H10O7 — CID 138543895

IUPAC2,3-dihydroxypropanoic acid;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.O=C(O)C(O)CO
InChIInChI=1S/C3H6O4.C3H4O3/c4-1-2(5)3(6)7;1-2(4)3(5)6/h2,4-5H,1H2,(H,6,7);1H3,(H,5,6)
InChIKeyXBNDANIITRZDNY-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.92
Rot. Bonds3

About 2,3-dihydroxypropanoic acid;2-oxopropanoic acid

2,3-dihydroxypropanoic acid;2-oxopropanoic acid (PubChem CID 138543895) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,3-dihydroxypropanoic acid;2-oxopropanoic acid.

Molecular Properties

Compound Name2,3-dihydroxypropanoic acid;2-oxopropanoic acid
PubChem CID138543895
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2,3-dihydroxypropanoic acid;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.O=C(O)C(O)CO
InChIInChI=1S/C3H6O4.C3H4O3/c4-1-2(5)3(6)7;1-2(4)3(5)6/h2,4-5H,1H2,(H,6,7);1H3,(H,5,6)
InChIKeyXBNDANIITRZDNY-UHFFFAOYSA-N
XLogP-1.92
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxypropanoic acid;2-oxopropanoic 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

2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248
4,5-dihydroxy(113C)pentane-2,3-dione
CID 11506457

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoic acid;2-oxopropanoic acid?
The IUPAC name of 2,3-dihydroxypropanoic acid;2-oxopropanoic acid (CID 138543895) is 2,3-dihydroxypropanoic acid;2-oxopropanoic acid.
What is the SMILES notation for 2,3-dihydroxypropanoic acid;2-oxopropanoic acid?
The canonical SMILES for 2,3-dihydroxypropanoic acid;2-oxopropanoic acid is CC(=O)C(=O)O.O=C(O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoic acid;2-oxopropanoic acid?
The InChIKey is XBNDANIITRZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4.C3H4O3/c4-1-2(5)3(6)7;1-2(4)3(5)6/h2,4-5H,1H2,(H,6,7);1H3,(H,5,6).
What are the key properties of 2,3-dihydroxypropanoic acid;2-oxopropanoic acid?
2,3-dihydroxypropanoic acid;2-oxopropanoic acid has a molecular weight of 194.14 g/mol, XLogP of -1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoic acid;2-oxopropanoic acid is sourced from PubChem (CID 138543895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).