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

C5H9NO2 — CID 55299966

IUPAC(2R,3S)-3-ethylaziridine-2-carboxylic acid
SMILESCC[C@@H]1N[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyBCHMDNZXSCYKOS-IUYQGCFVSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds2

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

(2R,3S)-3-ethylaziridine-2-carboxylic acid (PubChem CID 55299966) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2R,3S)-3-ethylaziridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-ethylaziridine-2-carboxylic acid
PubChem CID55299966
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2R,3S)-3-ethylaziridine-2-carboxylic acid
SMILESCC[C@@H]1N[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c1-2-3-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyBCHMDNZXSCYKOS-IUYQGCFVSA-N
XLogP-0.18
TPSA59.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
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

N-Methyl-L-norvaline
CID 7010353
(2S)-2-[(R)-1-carboxyethylamino]pentanoate
CID 5459785
(3~{r})-3-(2-Hydroxy-2-Oxoethylamino)butanoic Acid
CID 127021030
(2S,3S)-3-Methyl-2-aziridinecarboxylic acid
CID 13894864
Pleurocybellaziridin
CID 53235787
(2S)-2-[(R)-1-carboxyethylamino]pentanoic acid
CID 440979
3,3-Dimethylaziridine-2-carboxylic acid
CID 55287082
N-methylnorvaline
CID 15677249
(2S)-2-(ethylamino)pentanoic acid
CID 15677251
5-Fluoro-2-(methylamino)pentanoic acid
CID 171397859
(2S)-5-fluoro-2-(methylamino)pentanoic acid
CID 178425146
carboxymethyl-[(2R)-1-carboxypropan-2-yl]azanium
CID 177929197

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethylaziridine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-ethylaziridine-2-carboxylic acid (CID 55299966) is (2R,3S)-3-ethylaziridine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-ethylaziridine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-ethylaziridine-2-carboxylic acid is CC[C@@H]1N[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-ethylaziridine-2-carboxylic acid?
The InChIKey is BCHMDNZXSCYKOS-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of (2R,3S)-3-ethylaziridine-2-carboxylic acid?
(2R,3S)-3-ethylaziridine-2-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethylaziridine-2-carboxylic acid is sourced from PubChem (CID 55299966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).