1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid

C11H18N2O3 — CID 115453494

IUPAC1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(CN)CC1
InChIInChI=1S/C11H18N2O3/c1-7-8(9(14)15)2-5-13(7)10(16)11(6-12)3-4-11/h7-8H,2-6,12H2,1H3,(H,14,15)
InChIKeyVMMMQJXAZAPEAV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.05
Rot. Bonds3

About 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 115453494) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID115453494
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(CN)CC1
InChIInChI=1S/C11H18N2O3/c1-7-8(9(14)15)2-5-13(7)10(16)11(6-12)3-4-11/h7-8H,2-6,12H2,1H3,(H,14,15)
InChIKeyVMMMQJXAZAPEAV-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778470
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120937073
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743006
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 122109348
1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 83073136
[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
CID 80588742
[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
CID 80599736
2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 79370825
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid (CID 115453494) is 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VMMMQJXAZAPEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-8(9(14)15)2-5-13(7)10(16)11(6-12)3-4-11/h7-8H,2-6,12H2,1H3,(H,14,15).
What are the key properties of 1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.05, 3 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-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).