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

C10H17NO2 — CID 87815225

IUPAC2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESCC1CN1CCC1(C(=O)O)CC1C
InChIInChI=1S/C10H17NO2/c1-7-5-10(7,9(12)13)3-4-11-6-8(11)2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyWQCHUXOQFRZHBR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds4

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

2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 87815225) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID87815225
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESCC1CN1CCC1(C(=O)O)CC1C
InChIInChI=1S/C10H17NO2/c1-7-5-10(7,9(12)13)3-4-11-6-8(11)2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyWQCHUXOQFRZHBR-UHFFFAOYSA-N
XLogP1.19
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
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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Related Compounds

4-(Dimethylamino)-2,2,3-trimethylpentanoic acid
CID 54072392
4-Cyclopropyl-1-methylpiperidine-4-carboxylic acid
CID 82407096
2-Methyl-1-[(2-methylaziridin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 87815639
1-Cyclopropyl-2-methylpiperidine-4-carboxylic acid
CID 106745409
2-[2-[Cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid
CID 123308782
5-Methyl-5-azaspiro[2.5]octane-8-carboxylic acid
CID 164560589
Ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
CID 164560603
Ethane;5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
CID 164560673
5-Tert-butyl-5-azaspiro[2.5]octane-8-carboxylic acid
CID 171432790
4-(4-Tert-butylpiperidin-1-yl)pentanoic acid
CID 55047555
1-(Cyclopropylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127076
4-(4-Tert-butylazepan-1-yl)pentanoic acid
CID 64356237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid (CID 87815225) is 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid is CC1CN1CCC1(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is WQCHUXOQFRZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-10(7,9(12)13)3-4-11-6-8(11)2/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid?
2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 87815225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).