(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid

C13H27NO4Si — CID 156767749

IUPAC(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid
SMILES[2H]CN(C(=O)OCC[Si](C)(C)C)[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO4Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1/i3D
InChIKeyISZJODSUCSTOSW-HVCJDPPDSA-N
MW290.45 g/mol
LogP2.89
Rot. Bonds8

About (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid

(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid (PubChem CID 156767749) has the molecular formula C13H27NO4Si and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid
PubChem CID156767749
Molecular FormulaC13H27NO4Si
Molecular Weight290.45 g/mol
Exact Mass290.18
IUPAC Name(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid
SMILES[2H]CN(C(=O)OCC[Si](C)(C)C)[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO4Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1/i3D
InChIKeyISZJODSUCSTOSW-HVCJDPPDSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.89
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

4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135536
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135533
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
CID 162422079
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
CID 167226880
(2S)-2-[deuteriomethyl-[(2S)-4-methyl-2-[methyl(prop-2-enoxycarbonyl)amino]pentanoyl]amino]-3-phenylpropanoic acid
CID 165125157
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
CID 175137826
(2R)-4-methyl-2-[methyl(2-trimethylsilyloxyethyl)amino]pentanoic acid
CID 172681243
CID 87647467
CID 87647467
butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 87389517
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid (CID 156767749) is (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid is [2H]CN(C(=O)OCC[Si](C)(C)C)[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ISZJODSUCSTOSW-HVCJDPPDSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-10(2)9-11(12(15)16)14(3)13(17)18-7-8-19(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1/i3D.
What are the key properties of (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid?
(2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 290.45 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[deuteriomethyl(2-trimethylsilylethoxycarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 156767749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).