5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

C12H20N2O5 — CID 81076344

IUPAC5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-14-7-8(6-10(14)15)11(16)13-9(12(17)18)4-3-5-19-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyALMWGEQPGFPJIW-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.54
Rot. Bonds7

About 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 81076344) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID81076344
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1CC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-14-7-8(6-10(14)15)11(16)13-9(12(17)18)4-3-5-19-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyALMWGEQPGFPJIW-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152983
2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 43353501
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 79676055
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
5-methoxy-2-(thiolane-3-carbonylamino)pentanoic acid
CID 81077225
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (CID 81076344) is 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)C1CC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is ALMWGEQPGFPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14-7-8(6-10(14)15)11(16)13-9(12(17)18)4-3-5-19-2/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81076344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).