(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid

C12H27NO3Si — CID 175137826

IUPAC(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)CCO[Si](C)(C)C
InChIInChI=1S/C12H27NO3Si/c1-10(2)9-11(12(14)15)13(3)7-8-16-17(4,5)6/h10-11H,7-9H2,1-6H3,(H,14,15)/t11-/m0/s1
InChIKeyAKSWSLNJRNABIB-NSHDSACASA-N
MW261.44 g/mol
LogP2.27
Rot. Bonds8

About (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid

(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid (PubChem CID 175137826) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
PubChem CID175137826
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)CCO[Si](C)(C)C
InChIInChI=1S/C12H27NO3Si/c1-10(2)9-11(12(14)15)13(3)7-8-16-17(4,5)6/h10-11H,7-9H2,1-6H3,(H,14,15)/t11-/m0/s1
InChIKeyAKSWSLNJRNABIB-NSHDSACASA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
CID 172681243
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135536
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135533
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
4-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]pentanoic acid
CID 70068790
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435
(2S)-2-[(4-bromophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70068903
(2S)-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanoic acid
CID 54294030

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid (CID 175137826) is (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid is CC(C)C[C@@H](C(=O)O)N(C)CCO[Si](C)(C)C.
What is the InChIKey of (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid?
The InChIKey is AKSWSLNJRNABIB-NSHDSACASA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-10(2)9-11(12(14)15)13(3)7-8-16-17(4,5)6/h10-11H,7-9H2,1-6H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid?
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid has a molecular weight of 261.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid is sourced from PubChem (CID 175137826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).