(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid

C13H22N2O4 — CID 65493069

IUPAC(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCC(=O)N1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)/t9-,10?/m0/s1
InChIKeyABRBXXZGNUOPQF-RGURZIINSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds7

About (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65493069) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
PubChem CID65493069
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)C1CCC(=O)N1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)/t9-,10?/m0/s1
InChIKeyABRBXXZGNUOPQF-RGURZIINSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid with MolForge

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Related Compounds

5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493096
(3S)-3-[[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 126812217
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid;pyrrolidine
CID 131713003
(3S)-5-methyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]hexanoic acid
CID 65492659
(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 18611788
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
N-(1-cyano-3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 82287124

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid (CID 65493069) is (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid is CC(C)C[C@H](CNC(=O)C1CCC(=O)N1)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is ABRBXXZGNUOPQF-RGURZIINSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)/t9-,10?/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65493069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).