2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid

C17H32N2O5 — CID 167219858

IUPAC2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
SMILESCNC(C)(C)CCOC(C)(C)CC(=O)NC(CCC(C)=O)C(=O)O
InChIInChI=1S/C17H32N2O5/c1-12(20)7-8-13(15(22)23)19-14(21)11-17(4,5)24-10-9-16(2,3)18-6/h13,18H,7-11H2,1-6H3,(H,19,21)(H,22,23)
InChIKeyORHFMXPOTHKRGB-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.50
Rot. Bonds12

About 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid

2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid (PubChem CID 167219858) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid.

Molecular Properties

Compound Name2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
PubChem CID167219858
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
SMILESCNC(C)(C)CCOC(C)(C)CC(=O)NC(CCC(C)=O)C(=O)O
InChIInChI=1S/C17H32N2O5/c1-12(20)7-8-13(15(22)23)19-14(21)11-17(4,5)24-10-9-16(2,3)18-6/h13,18H,7-11H2,1-6H3,(H,19,21)(H,22,23)
InChIKeyORHFMXPOTHKRGB-UHFFFAOYSA-N
XLogP1.50
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic 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

3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
CID 134502890
2-(methylamino)-5-[2-[2-methyl-4-(2-methyl-4-oxopentan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentanoic acid
CID 176958655
5-[[1-carboxy-4-[2-[2-methyl-4-(2-methyl-5-oxohexan-2-yl)oxybutan-2-yl]oxyethylamino]-4-oxobutyl]amino]-2,2,4-trimethyl-5-oxopentanoic acid
CID 88944643
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
[3,5-dimethyl-4-[2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]propanoylamino]phenyl]methyl acetate
CID 142952721
2-[(3-hydroxy-3-methylbutanoyl)amino]pentanedioic acid
CID 90258530
(2S)-2-[(3-amino-3-methylbutanoyl)amino]pentanedioic acid
CID 64677368
(2S)-2-[[3-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-3-methylbutanoyl]amino]propanoic acid
CID 142467889
5-[[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]amino]-2-(2-methylpropanoylamino)-5-oxopentanoic acid
CID 155574337
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946725
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937
2-(butanoylamino)-5-[[5-[[1-carboxy-4-[[1-carboxy-4-[[5-[[1-carboxy-4-[[1-carboxy-4-[(1-methoxy-1,5-dioxohexan-2-yl)amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 177284966

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid?
The IUPAC name of 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid (CID 167219858) is 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid.
What is the SMILES notation for 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid?
The canonical SMILES for 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid is CNC(C)(C)CCOC(C)(C)CC(=O)NC(CCC(C)=O)C(=O)O.
What is the InChIKey of 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid?
The InChIKey is ORHFMXPOTHKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-12(20)7-8-13(15(22)23)19-14(21)11-17(4,5)24-10-9-16(2,3)18-6/h13,18H,7-11H2,1-6H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid?
2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid has a molecular weight of 344.45 g/mol, XLogP of 1.50, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid is sourced from PubChem (CID 167219858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).