1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 61183075

IUPAC1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-7-12-11(16)13-8-5-6-9(13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyWHGGLEHBMHTLEB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds5

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

1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61183075) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61183075
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-7-12-11(16)13-8-5-6-9(13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyWHGGLEHBMHTLEB-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
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

(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691
[[1-(nonylcarbamoyl)pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 143689897
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866

Frequently Asked Questions

What is the IUPAC name of 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61183075) is 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid is CCCCCNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WHGGLEHBMHTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-4-7-12-11(16)13-8-5-6-9(13)10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61183075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).