1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 83071100

IUPAC1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1(CN)CC1
InChIInChI=1S/C12H20N2O3/c1-2-12(10(16)17)4-3-7-14(12)9(15)11(8-13)5-6-11/h2-8,13H2,1H3,(H,16,17)
InChIKeyBCTGILRIGIZZSU-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83071100) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83071100
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1(CN)CC1
InChIInChI=1S/C12H20N2O3/c1-2-12(10(16)17)4-3-7-14(12)9(15)11(8-13)5-6-11/h2-8,13H2,1H3,(H,16,17)
InChIKeyBCTGILRIGIZZSU-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83071100) is 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is BCTGILRIGIZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-12(10(16)17)4-3-7-14(12)9(15)11(8-13)5-6-11/h2-8,13H2,1H3,(H,16,17).
What are the key properties of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).