(2S,3R)-3-methyloxirane-2-carboxylic acid

C4H6O3 — CID 11400735

IUPAC(2S,3R)-3-methyloxirane-2-carboxylic acid
SMILESC[C@H]1O[C@@H]1C(=O)O
InChIInChI=1S/C4H6O3/c1-2-3(7-2)4(5)6/h2-3H,1H3,(H,5,6)/t2-,3+/m1/s1
InChIKeySEDGGCMDYFKAQN-GBXIJSLDSA-N
MW102.09 g/mol
LogP-0.14
Rot. Bonds1

About (2S,3R)-3-methyloxirane-2-carboxylic acid

(2S,3R)-3-methyloxirane-2-carboxylic acid (PubChem CID 11400735) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is (2S,3R)-3-methyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-methyloxirane-2-carboxylic acid
PubChem CID11400735
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name(2S,3R)-3-methyloxirane-2-carboxylic acid
SMILESC[C@H]1O[C@@H]1C(=O)O
InChIInChI=1S/C4H6O3/c1-2-3(7-2)4(5)6/h2-3H,1H3,(H,5,6)/t2-,3+/m1/s1
InChIKeySEDGGCMDYFKAQN-GBXIJSLDSA-N
XLogP-0.14
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,3-epoxybutyrate
CID 29774
cis-Epoxysuccinate
CID 2734802
3-(Ethoxycarbonyl)oxirane-2-carboxylic acid
CID 13150796
trans-2,3-Epoxysuccinate
CID 440044
Epoxysuccinic acid
CID 86022
Glycidic acid
CID 94158
2,3-Epoxbutyl 2,3-epoxybutyrate
CID 24987
(2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid
CID 11030109
rac-(2R,3S)-3-methyloxirane-2-carboxylic acid
CID 11062319
2-Methyloxirane-2-carboxylic acid
CID 11159297
3-Methylglycidic acid
CID 11083840
ethyl (2S,3S)-3-methyloxirane-2-carboxylate
CID 6999065

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyloxirane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-methyloxirane-2-carboxylic acid (CID 11400735) is (2S,3R)-3-methyloxirane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-methyloxirane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-methyloxirane-2-carboxylic acid is C[C@H]1O[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-methyloxirane-2-carboxylic acid?
The InChIKey is SEDGGCMDYFKAQN-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H6O3/c1-2-3(7-2)4(5)6/h2-3H,1H3,(H,5,6)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-3-methyloxirane-2-carboxylic acid?
(2S,3R)-3-methyloxirane-2-carboxylic acid has a molecular weight of 102.09 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyloxirane-2-carboxylic acid is sourced from PubChem (CID 11400735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).