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

C5H7NO4 — CID 91246194

IUPAC(2S)-2-methylaziridine-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CN1C(=O)O
InChIInChI=1S/C5H7NO4/c1-5(3(7)8)2-6(5)4(9)10/h2H2,1H3,(H,7,8)(H,9,10)/t5-,6?/m0/s1
InChIKeyKNKPYFNQISBBBA-ZBHICJROSA-N
MW145.11 g/mol
LogP-0.18
Rot. Bonds1

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

(2S)-2-methylaziridine-1,2-dicarboxylic acid (PubChem CID 91246194) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2S)-2-methylaziridine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-2-methylaziridine-1,2-dicarboxylic acid
PubChem CID91246194
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2S)-2-methylaziridine-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CN1C(=O)O
InChIInChI=1S/C5H7NO4/c1-5(3(7)8)2-6(5)4(9)10/h2H2,1H3,(H,7,8)(H,9,10)/t5-,6?/m0/s1
InChIKeyKNKPYFNQISBBBA-ZBHICJROSA-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

2-methylpiperazine-1,2,4-tricarboxylic acid
CID 90766935
aziridine-1,2,2-tricarboxylic acid
CID 150921913
(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
CID 91509237
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid
CID 91142406
2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 22132138
N,N,2,2-tetramethylaziridine-1-carboxamide
CID 45084186
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
CID 162348779
CID 162348779
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
CID 118118202

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylaziridine-1,2-dicarboxylic acid?
The IUPAC name of (2S)-2-methylaziridine-1,2-dicarboxylic acid (CID 91246194) is (2S)-2-methylaziridine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S)-2-methylaziridine-1,2-dicarboxylic acid?
The canonical SMILES for (2S)-2-methylaziridine-1,2-dicarboxylic acid is C[C@@]1(C(=O)O)CN1C(=O)O.
What is the InChIKey of (2S)-2-methylaziridine-1,2-dicarboxylic acid?
The InChIKey is KNKPYFNQISBBBA-ZBHICJROSA-N. The full InChI is InChI=1S/C5H7NO4/c1-5(3(7)8)2-6(5)4(9)10/h2H2,1H3,(H,7,8)(H,9,10)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-methylaziridine-1,2-dicarboxylic acid?
(2S)-2-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 (2S)-2-methylaziridine-1,2-dicarboxylic acid is sourced from PubChem (CID 91246194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).