2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid

C9H15NO2 — CID 87815639

IUPAC2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1CN1CC1(C(=O)O)CC1C
InChIInChI=1S/C9H15NO2/c1-6-3-9(6,8(11)12)5-10-4-7(10)2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyTZWHGFQKCZWHGY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds3

About 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid

2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 87815639) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID87815639
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCC1CN1CC1(C(=O)O)CC1C
InChIInChI=1S/C9H15NO2/c1-6-3-9(6,8(11)12)5-10-4-7(10)2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyTZWHGFQKCZWHGY-UHFFFAOYSA-N
XLogP0.80
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid (CID 87815639) is 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid is CC1CN1CC1(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is TZWHGFQKCZWHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-3-9(6,8(11)12)5-10-4-7(10)2/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid?
2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 87815639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).