5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid

C10H17NO4 — CID 50979122

IUPAC5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
SMILESCCCOCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyGEPPHDPJDUVIFP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds6

About 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid (PubChem CID 50979122) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
PubChem CID50979122
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
SMILESCCCOCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyGEPPHDPJDUVIFP-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
Sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 23695989
1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146690
1-[2-(Morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16764453
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 11437663
4-(Hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 24275517
1-(2-Methoxy-1-methyl-ethyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 4777965
Ethyl 1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 23592776
Methyl 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 232916
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 42614772
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid (CID 50979122) is 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid is CCCOCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GEPPHDPJDUVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50979122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).