2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid

C18H37NO4Si — CID 71319242

IUPAC2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CCCCCCCCCC[Si](C)(C)O)C(=O)O
InChIInChI=1S/C18H37NO4Si/c1-15(2)17(18(21)22)19-16(20)13-11-9-7-5-6-8-10-12-14-24(3,4)23/h15,17,23H,5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyJKSMWFUXMVYFKU-UHFFFAOYSA-N
MW359.58 g/mol
LogP3.92
Rot. Bonds14

About 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid

2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid (PubChem CID 71319242) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid
PubChem CID71319242
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Name2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CCCCCCCCCC[Si](C)(C)O)C(=O)O
InChIInChI=1S/C18H37NO4Si/c1-15(2)17(18(21)22)19-16(20)13-11-9-7-5-6-8-10-12-14-24(3,4)23/h15,17,23H,5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyJKSMWFUXMVYFKU-UHFFFAOYSA-N
XLogP3.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2S)-2-[[(2S)-2-[[8-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-8-oxooctanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 100915022
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
2-[[2-[[12-[[1-[(1-carboxy-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10371775
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
(2S)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119359647
(2R)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119368410
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
(2S)-2-(hex-5-enoylamino)-3-methylbutanoic acid
CID 119359893
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052

Frequently Asked Questions

What is the IUPAC name of 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid (CID 71319242) is 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid is CC(C)C(NC(=O)CCCCCCCCCC[Si](C)(C)O)C(=O)O.
What is the InChIKey of 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid?
The InChIKey is JKSMWFUXMVYFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-15(2)17(18(21)22)19-16(20)13-11-9-7-5-6-8-10-12-14-24(3,4)23/h15,17,23H,5-14H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid?
2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid has a molecular weight of 359.58 g/mol, XLogP of 3.92, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[hydroxy(dimethyl)silyl]undecanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 71319242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).