1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C12H18N2O3 — CID 79207238

IUPAC1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C12H18N2O3/c1-12(11(16)17)4-5-14(7-12)10(15)8-2-3-9(13)6-8/h2-3,8-9H,4-7,13H2,1H3,(H,16,17)
InChIKeyNINMKGCEDPSCRB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.21
Rot. Bonds2

About 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 79207238) 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)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID79207238
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C12H18N2O3/c1-12(11(16)17)4-5-14(7-12)10(15)8-2-3-9(13)6-8/h2-3,8-9H,4-7,13H2,1H3,(H,16,17)
InChIKeyNINMKGCEDPSCRB-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
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

3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
3-methyl-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115731665
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257216
(3S)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695295
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(1,1-dioxothiolane-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146844
1-(1-ethylsulfonylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256328
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 115444100
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 79207238) is 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2C=CC(N)C2)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NINMKGCEDPSCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(11(16)17)4-5-14(7-12)10(15)8-2-3-9(13)6-8/h2-3,8-9H,4-7,13H2,1H3,(H,16,17).
What are the key properties of 1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.21, 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)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79207238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).