(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid

C5H7NO4 — CID 154457797

IUPAC(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6(2)5(9)10/h2-3H,1H3,(H,7,8)(H,9,10)/t2-,3+,6?/m0/s1
InChIKeyFCOJKRBMORWXAX-IKABJLMCSA-N
MW145.11 g/mol
LogP-0.18
Rot. Bonds1

About (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid

(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid (PubChem CID 154457797) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
PubChem CID154457797
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6(2)5(9)10/h2-3H,1H3,(H,7,8)(H,9,10)/t2-,3+,6?/m0/s1
InChIKeyFCOJKRBMORWXAX-IKABJLMCSA-N
XLogP-0.18
TPSA77.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
CID 175820386
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CID 146565043
(2S,3S)-1-butyl-3-methylaziridine-2-carboxylic acid
CID 11499317
2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18437279
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S)-4-fluoro-3-methylpyrrolidine-1,2-dicarboxylic acid
CID 122439706
2-ethyl-1,2-oxazolidine-3,4-dicarboxylic acid
CID 142128556
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
CID 87794852
piperidine-1,2,6-tricarboxylic acid
CID 22987898
2,6-dimethyl-4-nitrosopiperazine-1-carboxylic acid
CID 45115699

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid?
The IUPAC name of (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid (CID 154457797) is (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid is C[C@H]1[C@H](C(=O)O)N1C(=O)O.
What is the InChIKey of (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid?
The InChIKey is FCOJKRBMORWXAX-IKABJLMCSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2-3(4(7)8)6(2)5(9)10/h2-3H,1H3,(H,7,8)(H,9,10)/t2-,3+,6?/m0/s1.
What are the key properties of (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid?
(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylaziridine-1,2-dicarboxylic acid is sourced from PubChem (CID 154457797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).