1-decyl-5-oxopyrrolidine-3-carboxylic acid

C15H27NO3 — CID 3023563

IUPAC1-decyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCCCCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15(18)19)11-14(16)17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGABHSCSSTHISHK-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds10

About 1-decyl-5-oxopyrrolidine-3-carboxylic acid

1-decyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3023563) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-decyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-decyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3023563
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-decyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCCCCCCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15(18)19)11-14(16)17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGABHSCSSTHISHK-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-decyl-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792

Frequently Asked Questions

What is the IUPAC name of 1-decyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-decyl-5-oxopyrrolidine-3-carboxylic acid (CID 3023563) is 1-decyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-decyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-decyl-5-oxopyrrolidine-3-carboxylic acid is CCCCCCCCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-decyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GABHSCSSTHISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15(18)19)11-14(16)17/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 1-decyl-5-oxopyrrolidine-3-carboxylic acid?
1-decyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3023563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).