(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid

C16H26N2O5 — CID 118184263

IUPAC(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCCCCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C16H26N2O5/c1-11(2)10-12(16(22)23)17-13(19)6-4-3-5-9-18-14(20)7-8-15(18)21/h11-12H,3-10H2,1-2H3,(H,17,19)(H,22,23)/t12-/m1/s1
InChIKeyRAXWLIBALVBWGD-GFCCVEGCSA-N
MW326.39 g/mol
LogP1.31
Rot. Bonds10

About (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid

(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid (PubChem CID 118184263) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
PubChem CID118184263
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCCCCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C16H26N2O5/c1-11(2)10-12(16(22)23)17-13(19)6-4-3-5-9-18-14(20)7-8-15(18)21/h11-12H,3-10H2,1-2H3,(H,17,19)(H,22,23)/t12-/m1/s1
InChIKeyRAXWLIBALVBWGD-GFCCVEGCSA-N
XLogP1.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
6-(2,5-dioxopyrrolidin-1-yl)-2-(hexadecanoylamino)-5-oxohexanoic acid
CID 170653244
(2S)-4-methyl-2-(undec-10-enoylamino)pentanoic acid
CID 10542049
(2S)-4-methyl-2-(oct-7-ynoylamino)pentanoic acid
CID 139251442
(2S)-2-[[(Z)-18-hydroxyoctadec-9-enoyl]amino]-4-methylpentanoic acid
CID 172875087
(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 107820981
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
methane;4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid
CID 157439581
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid (CID 118184263) is (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)CCCCCN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid?
The InChIKey is RAXWLIBALVBWGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-11(2)10-12(16(22)23)17-13(19)6-4-3-5-9-18-14(20)7-8-15(18)21/h11-12H,3-10H2,1-2H3,(H,17,19)(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid?
(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid has a molecular weight of 326.39 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 118184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).