2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid

C18H34N2O3 — CID 67813916

IUPAC2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCCCCCCCCCCCCNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-19-17(21)16-13-12-15-20(16)18(22)23/h16H,2-15H2,1H3,(H,19,21)(H,22,23)
InChIKeyICOBSWYZAQJKTC-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.17
Rot. Bonds12

About 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid

2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 67813916) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID67813916
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCCCCCCCCCCCCNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-19-17(21)16-13-12-15-20(16)18(22)23/h16H,2-15H2,1H3,(H,19,21)(H,22,23)
InChIKeyICOBSWYZAQJKTC-UHFFFAOYSA-N
XLogP4.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.17
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

2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
[[1-(nonylcarbamoyl)pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 143689897
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
tert-butyl (2R)-2-(octylcarbamoyl)piperidine-1-carboxylate;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 160831037
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913

Frequently Asked Questions

What is the IUPAC name of 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 67813916) is 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid is CCCCCCCCCCCCNC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ICOBSWYZAQJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-19-17(21)16-13-12-15-20(16)18(22)23/h16H,2-15H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid?
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 326.48 g/mol, XLogP of 4.17, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67813916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).