3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid

C12H18N2O3 — CID 107323252

IUPAC3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C12H18N2O3/c13-12(11(16)17)5-6-14(8-12)10(15)7-9-3-1-2-4-9/h1,3,9H,2,4-8,13H2,(H,16,17)
InChIKeyQMQVAUCZBWBVFY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds3

About 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323252) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID107323252
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C12H18N2O3/c13-12(11(16)17)5-6-14(8-12)10(15)7-9-3-1-2-4-9/h1,3,9H,2,4-8,13H2,(H,16,17)
InChIKeyQMQVAUCZBWBVFY-UHFFFAOYSA-N
XLogP0.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159
1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95882974
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 79879749
4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
CID 95882475
1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 95897711

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid (CID 107323252) is 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QMQVAUCZBWBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-12(11(16)17)5-6-14(8-12)10(15)7-9-3-1-2-4-9/h1,3,9H,2,4-8,13H2,(H,16,17).
What are the key properties of 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).