[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid

C20H33NO4Si — CID 154307074

IUPAC[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid
SMILESCC(C)[Si](Oc1ccc(C(C=O)CCNC(=O)O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO4Si/c1-14(2)26(15(3)4,16(5)6)25-19-9-7-17(8-10-19)18(13-22)11-12-21-20(23)24/h7-10,13-16,18,21H,11-12H2,1-6H3,(H,23,24)
InChIKeyHMJDIIZQJBEBFB-UHFFFAOYSA-N
MW379.57 g/mol
LogP5.18
Rot. Bonds10

About [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid

[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid (PubChem CID 154307074) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid.

Molecular Properties

Compound Name[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid
PubChem CID154307074
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Name[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid
SMILESCC(C)[Si](Oc1ccc(C(C=O)CCNC(=O)O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO4Si/c1-14(2)26(15(3)4,16(5)6)25-19-9-7-17(8-10-19)18(13-22)11-12-21-20(23)24/h7-10,13-16,18,21H,11-12H2,1-6H3,(H,23,24)
InChIKeyHMJDIIZQJBEBFB-UHFFFAOYSA-N
XLogP5.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.57
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tyr, N-isoBOC TBDMS
CID 6430007
tert-butyl N-[(2R)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methyl-1-oxobutan-2-yl]carbamate
CID 58972209
4-(Tert-butoxycarbonylamino)-2-(4-(triisopropylsilyloxy)phenyl)butanoic acid
CID 59563721
Benzyl 4-(tert-butoxycarbonylamino)-2-(4-(triisopropylsilyloxy)phenyl)butanoate
CID 59563797
2-Methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid
CID 59804670
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67570149
(2S)-4-(carboxyamino)-2-(4-hydroxyphenyl)butanoic acid
CID 69004749
[(3S)-3-(4-hydroxyphenyl)-4-methoxy-4-oxobutyl]carbamic acid
CID 69004753
6-[[4-Tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid
CID 71063142
tert-butyl N-[(2R,4S)-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamate
CID 126611529
Methyl 3-(4-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 138461477
12-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-hydroxyphenyl)ethyl]dodecanamide
CID 139995773

Frequently Asked Questions

What is the IUPAC name of [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid?
The IUPAC name of [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid (CID 154307074) is [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid.
What is the SMILES notation for [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid?
The canonical SMILES for [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid is CC(C)[Si](Oc1ccc(C(C=O)CCNC(=O)O)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid?
The InChIKey is HMJDIIZQJBEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-14(2)26(15(3)4,16(5)6)25-19-9-7-17(8-10-19)18(13-22)11-12-21-20(23)24/h7-10,13-16,18,21H,11-12H2,1-6H3,(H,23,24).
What are the key properties of [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid?
[4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid has a molecular weight of 379.57 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-[4-tri(propan-2-yl)silyloxyphenyl]butyl]carbamic acid is sourced from PubChem (CID 154307074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).