3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid

C22H34N2O3 — CID 174193075

IUPAC3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESCCCCCCCCCCc1ccc(C(=O)NC2CCN(C(=O)O)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(25)23-20-15-16-24(17-20)22(26)27/h11-14,20H,2-10,15-17H2,1H3,(H,23,25)(H,26,27)
InChIKeyQGBRZXNDPGDATL-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.85
Rot. Bonds11

About 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid

3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 174193075) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID174193075
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESCCCCCCCCCCc1ccc(C(=O)NC2CCN(C(=O)O)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(25)23-20-15-16-24(17-20)22(26)27/h11-14,20H,2-10,15-17H2,1H3,(H,23,25)(H,26,27)
InChIKeyQGBRZXNDPGDATL-UHFFFAOYSA-N
XLogP4.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-[(4-decylphenyl)carbamoyloxy]pyrrolidine-1-carboxylic acid
CID 174193096
4-hexyl-N-[1-[(3-methoxy-2-nitrophenyl)methyl]pyrrolidin-3-yl]benzamide
CID 6733705
3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 167931062
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
CID 173155726
N-(1-butylpiperidin-4-yl)-4-(chloromethyl)benzamide
CID 43696349

Frequently Asked Questions

What is the IUPAC name of 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid (CID 174193075) is 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid is CCCCCCCCCCc1ccc(C(=O)NC2CCN(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is QGBRZXNDPGDATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)21(25)23-20-15-16-24(17-20)22(26)27/h11-14,20H,2-10,15-17H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 374.53 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174193075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).