1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid

C70H119N7O26 — CID 157092049

IUPAC1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCN1CC(C(=O)O)CC1=O.CCCC(C)N1CC(C(=O)O)CC1=O.CCCC(CCC)N1CC(C(=O)O)CC1=O.CCCOCCN1CC(C(=O)O)CC1=O.CCOCCCN1CC(C(=O)O)CC1=O.CCOCCN1CC(C(=O)O)CC1=O.COCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO3.3C10H17NO4.C10H17NO3.2C9H15NO4/c1-3-5-10(6-4-2)13-8-9(12(15)16)7-11(13)14;1-7(2)15-4-3-11-6-8(10(13)14)5-9(11)12;1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12;1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12;1-3-4-7(2)11-6-8(10(13)14)5-9(11)12;1-14-4-2-3-10-6-7(9(12)13)5-8(10)11;1-2-14-4-3-10-6-7(9(12)13)5-8(10)11/h9-10H,3-8H2,1-2H3,(H,15,16);7-8H,3-6H2,1-2H3,(H,13,14);2*8H,2-7H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3,(H,13,14);2*7H,2-6H2,1H3,(H,12,13)
InChIKeyAETVBNWWXXVRHG-UHFFFAOYSA-N
MW1474.74 g/mol
LogP3.95
Rot. Bonds37

About 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid

1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid (PubChem CID 157092049) has the molecular formula C70H119N7O26 and a molecular weight of 1474.74 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
PubChem CID157092049
Molecular FormulaC70H119N7O26
Molecular Weight1474.74 g/mol
Exact Mass1473.82
IUPAC Name1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCN1CC(C(=O)O)CC1=O.CCCC(C)N1CC(C(=O)O)CC1=O.CCCC(CCC)N1CC(C(=O)O)CC1=O.CCCOCCN1CC(C(=O)O)CC1=O.CCOCCCN1CC(C(=O)O)CC1=O.CCOCCN1CC(C(=O)O)CC1=O.COCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO3.3C10H17NO4.C10H17NO3.2C9H15NO4/c1-3-5-10(6-4-2)13-8-9(12(15)16)7-11(13)14;1-7(2)15-4-3-11-6-8(10(13)14)5-9(11)12;1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12;1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12;1-3-4-7(2)11-6-8(10(13)14)5-9(11)12;1-14-4-2-3-10-6-7(9(12)13)5-8(10)11;1-2-14-4-3-10-6-7(9(12)13)5-8(10)11/h9-10H,3-8H2,1-2H3,(H,15,16);7-8H,3-6H2,1-2H3,(H,13,14);2*8H,2-7H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3,(H,13,14);2*7H,2-6H2,1H3,(H,12,13)
InChIKeyAETVBNWWXXVRHG-UHFFFAOYSA-N
XLogP3.95
TPSA449.42 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.74
LogP ≤ 53.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid (CID 157092049) is 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid is CC(C)OCCN1CC(C(=O)O)CC1=O.CCCC(C)N1CC(C(=O)O)CC1=O.CCCC(CCC)N1CC(C(=O)O)CC1=O.CCCOCCN1CC(C(=O)O)CC1=O.CCOCCCN1CC(C(=O)O)CC1=O.CCOCCN1CC(C(=O)O)CC1=O.COCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AETVBNWWXXVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3.3C10H17NO4.C10H17NO3.2C9H15NO4/c1-3-5-10(6-4-2)13-8-9(12(15)16)7-11(13)14;1-7(2)15-4-3-11-6-8(10(13)14)5-9(11)12;1-2-15-5-3-4-11-7-8(10(13)14)6-9(11)12;1-2-4-15-5-3-11-7-8(10(13)14)6-9(11)12;1-3-4-7(2)11-6-8(10(13)14)5-9(11)12;1-14-4-2-3-10-6-7(9(12)13)5-8(10)11;1-2-14-4-3-10-6-7(9(12)13)5-8(10)11/h9-10H,3-8H2,1-2H3,(H,15,16);7-8H,3-6H2,1-2H3,(H,13,14);2*8H,2-7H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3,(H,13,14);2*7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid?
1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 1474.74 g/mol, XLogP of 3.95, 37 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 157092049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).