5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid

C18H29NO5Si — CID 90152282

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid
SMILESCC[Si](CC)(CC)Oc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C18H29NO5Si/c1-7-25(8-2,9-3)24-15-11-10-13(12-14(15)16(20)21)19-17(22)23-18(4,5)6/h10-12H,7-9H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyDGPDPEDTQZJOIL-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.12
Rot. Bonds7

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid (PubChem CID 90152282) has the molecular formula C18H29NO5Si and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid
PubChem CID90152282
Molecular FormulaC18H29NO5Si
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid
SMILESCC[Si](CC)(CC)Oc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C18H29NO5Si/c1-7-25(8-2,9-3)24-15-11-10-13(12-14(15)16(20)21)19-17(22)23-18(4,5)6/h10-12H,7-9H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyDGPDPEDTQZJOIL-UHFFFAOYSA-N
XLogP5.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propanoyloxybenzoic acid
CID 22341898
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 69143692
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
tert-butyl N-[4-chloro-3-(diethylcarbamoyl)phenyl]carbamate
CID 46831746
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid (CID 90152282) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid is CC[Si](CC)(CC)Oc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid?
The InChIKey is DGPDPEDTQZJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5Si/c1-7-25(8-2,9-3)24-15-11-10-13(12-14(15)16(20)21)19-17(22)23-18(4,5)6/h10-12H,7-9H2,1-6H3,(H,19,22)(H,20,21).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid has a molecular weight of 367.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid is sourced from PubChem (CID 90152282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).