1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

C12H18N2O3 — CID 79207341

IUPAC1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18N2O3/c1-12(11(16)17)5-2-6-14(12)10(15)8-3-4-9(13)7-8/h3-4,8-9H,2,5-7,13H2,1H3,(H,16,17)
InChIKeyNEYUYNGMPNWQCB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds2

About 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 79207341) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID79207341
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18N2O3/c1-12(11(16)17)5-2-6-14(12)10(15)8-3-4-9(13)7-8/h3-4,8-9H,2,5-7,13H2,1H3,(H,16,17)
InChIKeyNEYUYNGMPNWQCB-UHFFFAOYSA-N
XLogP0.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 79207341) is 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is NEYUYNGMPNWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(11(16)17)5-2-6-14(12)10(15)8-3-4-9(13)7-8/h3-4,8-9H,2,5-7,13H2,1H3,(H,16,17).
What are the key properties of 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-ene-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79207341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).