4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

C11H18N2O4 — CID 104769141

IUPAC4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)[C@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8?/m1/s1
InChIKeyXXSAFGVAPGOYNT-GVHYBUMESA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds5

About 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 104769141) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID104769141
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)[C@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8?/m1/s1
InChIKeyXXSAFGVAPGOYNT-GVHYBUMESA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid;pyrrolidine
CID 131713003
(2S)-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 71392009
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 18611788
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid
CID 119361063
N-(1-cyano-3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 82287124
(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
CID 22789944
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 71407874
(2S)-N-[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 13312525
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493069
5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (CID 104769141) is 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is CC(C)CC(NC(=O)[C@H]1CCC(=O)N1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is XXSAFGVAPGOYNT-GVHYBUMESA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8?/m1/s1.
What are the key properties of 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 104769141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).