(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H22N2O4 — CID 82943085

IUPAC(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-8-18-9-4-6-13-12(17)14-7-3-5-10(14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyNWVFLZSPNJFEFD-SNVBAGLBSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds7

About (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 82943085) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID82943085
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-8-18-9-4-6-13-12(17)14-7-3-5-10(14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyNWVFLZSPNJFEFD-SNVBAGLBSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-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

1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83204921
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 82943085) is (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid is CCCOCCCNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NWVFLZSPNJFEFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-8-18-9-4-6-13-12(17)14-7-3-5-10(14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82943085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).