4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

C15H25N3O3 — CID 79191805

IUPAC4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C15H25N3O3/c1-10(2)18-6-5-11(9-18)8-16-15(21)17-13-4-3-12(7-13)14(19)20/h3-4,10-13H,5-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyAOMIVABKUNHGQN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.05
Rot. Bonds5

About 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191805) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191805
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C15H25N3O3/c1-10(2)18-6-5-11(9-18)8-16-15(21)17-13-4-3-12(7-13)14(19)20/h3-4,10-13H,5-9H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyAOMIVABKUNHGQN-UHFFFAOYSA-N
XLogP1.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79191668
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
2-cyclopropyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]acetic acid
CID 62711409
1-[[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446710
2-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 79815179
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114438
1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
2-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 106110039
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79191805) is 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC(C)N1CCC(CNC(=O)NC2C=CC(C(=O)O)C2)C1.
What is the InChIKey of 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is AOMIVABKUNHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)18-6-5-11(9-18)8-16-15(21)17-13-4-3-12(7-13)14(19)20/h3-4,10-13H,5-9H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).