(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid

C18H37NO4Si — CID 10618479

IUPAC(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N(CCCCC(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-9-14(2)16(17(21)22)19(24(6,7)8)13-11-10-12-15(20)23-18(3,4)5/h14,16H,9-13H2,1-8H3,(H,21,22)/t14-,16-/m0/s1
InChIKeyYSBIVGAIJODSON-HOCLYGCPSA-N
MW359.58 g/mol
LogP4.13
Rot. Bonds10

About (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid

(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid (PubChem CID 10618479) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid
PubChem CID10618479
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Name(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N(CCCCC(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-9-14(2)16(17(21)22)19(24(6,7)8)13-11-10-12-15(20)23-18(3,4)5/h14,16H,9-13H2,1-8H3,(H,21,22)/t14-,16-/m0/s1
InChIKeyYSBIVGAIJODSON-HOCLYGCPSA-N
XLogP4.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
ditert-butyl pentanedioate
CID 3016405
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl octacosanoate
CID 174872722
tert-butyl octanoate;oxalic acid
CID 175523196
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
tert-butyl 4-(diethylamino)butanoate
CID 122660980
2-[amino(pentyl)amino]-3-methylpentanoic acid
CID 174299571
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl dodecanoate;hydrate
CID 159574999

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid (CID 10618479) is (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid is CC[C@H](C)[C@@H](C(=O)O)N(CCCCC(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid?
The InChIKey is YSBIVGAIJODSON-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-9-14(2)16(17(21)22)19(24(6,7)8)13-11-10-12-15(20)23-18(3,4)5/h14,16H,9-13H2,1-8H3,(H,21,22)/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid?
(2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid has a molecular weight of 359.58 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-trimethylsilylamino]pentanoic acid is sourced from PubChem (CID 10618479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).