2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid

C9H17NO2 — CID 175109061

IUPAC2-(1-tert-butyl-2-methylaziridin-2-yl)acetic acid
SMILESCC1(CN1C(C)(C)C)CC(=O)O
InChIInChI=1S/C9H17NO2/c1-8(2,3)10-6-9(10,4)5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChIKeyHRJCWGPJOVWKQV-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.50
Rot. Bonds3

About 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid

2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid (PubChem CID 175109061) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-tert-butyl-2-methylaziridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid
PubChem CID175109061
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-tert-butyl-2-methylaziridin-2-yl)acetic acid
SMILESCC1(CN1C(C)(C)C)CC(=O)O
InChIInChI=1S/C9H17NO2/c1-8(2,3)10-6-9(10,4)5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChIKeyHRJCWGPJOVWKQV-UHFFFAOYSA-N
XLogP-1.50
TPSA40.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid?
The IUPAC name of 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid (CID 175109061) is 2-(1-tert-butyl-2-methylaziridin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid?
The canonical SMILES for 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid is CC1(CN1C(C)(C)C)CC(=O)O.
What is the InChIKey of 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid?
The InChIKey is HRJCWGPJOVWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)10-6-9(10,4)5-7(11)12/h5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid?
2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of -1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-Tert-butyl-2-methylaziridin-2-yl)acetic acid is sourced from PubChem (CID 175109061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).