(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

C11H16N2O6 — CID 107820415

IUPAC(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H16N2O6/c1-19-9(15)3-2-7(11(17)18)13-10(16)6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t6?,7-/m0/s1
InChIKeyRAQASSUTSIQDRJ-MLWJPKLSSA-N
MW272.26 g/mol
LogP-1.35
Rot. Bonds6

About (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 107820415) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID107820415
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H16N2O6/c1-19-9(15)3-2-7(11(17)18)13-10(16)6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t6?,7-/m0/s1
InChIKeyRAQASSUTSIQDRJ-MLWJPKLSSA-N
XLogP-1.35
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 71407874
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (CID 107820415) is (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is COC(=O)CC[C@H](NC(=O)C1CNC(=O)C1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is RAQASSUTSIQDRJ-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-19-9(15)3-2-7(11(17)18)13-10(16)6-4-8(14)12-5-6/h6-7H,2-5H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t6?,7-/m0/s1.
What are the key properties of (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 272.26 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107820415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).