N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide

C6H13N3O2 — CID 533873

IUPACN-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide
SMILESCON1CC1C(=O)NCCN
InChIInChI=1S/C6H13N3O2/c1-11-9-4-5(9)6(10)8-3-2-7/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyLTRQVMNPFVFYQS-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.69
Rot. Bonds4

About N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide

N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide (PubChem CID 533873) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide
PubChem CID533873
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide
SMILESCON1CC1C(=O)NCCN
InChIInChI=1S/C6H13N3O2/c1-11-9-4-5(9)6(10)8-3-2-7/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyLTRQVMNPFVFYQS-UHFFFAOYSA-N
XLogP-1.69
TPSA67.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide (CID 533873) is N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide is CON1CC1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide?
The InChIKey is LTRQVMNPFVFYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-11-9-4-5(9)6(10)8-3-2-7/h5H,2-4,7H2,1H3,(H,8,10).
What are the key properties of N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide?
N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide has a molecular weight of 159.19 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methoxyaziridine-2-carboxamide is sourced from PubChem (CID 533873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).