4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen

C13H25NO3 — CID 161111935

IUPAC4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen
SMILESCCCCCN1CC(C(=O)O)C(C2CC2)C1=O.[H][H].[H][H]
InChIInChI=1S/C13H21NO3.2H2/c1-2-3-4-7-14-8-10(13(16)17)11(12(14)15)9-5-6-9;;/h9-11H,2-8H2,1H3,(H,16,17);2*1H
InChIKeyUJUPOLWSAHUXQX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.24
Rot. Bonds6

About 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen

4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen (PubChem CID 161111935) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen.

Molecular Properties

Compound Name4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen
PubChem CID161111935
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen
SMILESCCCCCN1CC(C(=O)O)C(C2CC2)C1=O.[H][H].[H][H]
InChIInChI=1S/C13H21NO3.2H2/c1-2-3-4-7-14-8-10(13(16)17)11(12(14)15)9-5-6-9;;/h9-11H,2-8H2,1H3,(H,16,17);2*1H
InChIKeyUJUPOLWSAHUXQX-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 159316177
CID 159316177
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-butyl-2-oxoimidazolidine-4-carboxylic acid
CID 54048507
(3R,4R)-4-[(4-chlorophenyl)carbamoylamino]-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67792610
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
(3R,4S)-4-(naphthalene-2-carbonylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67821903
4-cyclopentyl-N-[(2S)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 70337635
(3R,4R)-4-(naphthalen-2-ylcarbamoylamino)-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 67793475
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen?
The IUPAC name of 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen (CID 161111935) is 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen.
What is the SMILES notation for 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen?
The canonical SMILES for 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen is CCCCCN1CC(C(=O)O)C(C2CC2)C1=O.[H][H].[H][H].
What is the InChIKey of 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen?
The InChIKey is UJUPOLWSAHUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3.2H2/c1-2-3-4-7-14-8-10(13(16)17)11(12(14)15)9-5-6-9;;/h9-11H,2-8H2,1H3,(H,16,17);2*1H.
What are the key properties of 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen?
4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen has a molecular weight of 243.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 161111935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).