2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

C12H20N2O5 — CID 82043107

IUPAC2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCCOCCCN1CC(C(=O)NCC(=O)O)CC1=O
InChIInChI=1S/C12H20N2O5/c1-2-19-5-3-4-14-8-9(6-10(14)15)12(18)13-7-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyPCBIWSPFZRGKFW-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.54
Rot. Bonds8

About 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 82043107) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID82043107
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCCOCCCN1CC(C(=O)NCC(=O)O)CC1=O
InChIInChI=1S/C12H20N2O5/c1-2-19-5-3-4-14-8-9(6-10(14)15)12(18)13-7-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyPCBIWSPFZRGKFW-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
1-butyl-N-[4-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153630
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
(3S)-N-(3-ethoxypropyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297128
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
5-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 83192025

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (CID 82043107) is 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is CCOCCCN1CC(C(=O)NCC(=O)O)CC1=O.
What is the InChIKey of 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is PCBIWSPFZRGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-19-5-3-4-14-8-9(6-10(14)15)12(18)13-7-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 82043107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).