tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate

C19H29NO4 — CID 136571569

IUPACtert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate
SMILESCOc1ccc(C2CCC2NCC(C)(O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-18(2,3)24-17(21)19(4,22)12-20-16-11-10-15(16)13-6-8-14(23-5)9-7-13/h6-9,15-16,20,22H,10-12H2,1-5H3
InChIKeyTWTPUXVFKWNUMG-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate

tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate (PubChem CID 136571569) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate
PubChem CID136571569
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate
SMILESCOc1ccc(C2CCC2NCC(C)(O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-18(2,3)24-17(21)19(4,22)12-20-16-11-10-15(16)13-6-8-14(23-5)9-7-13/h6-9,15-16,20,22H,10-12H2,1-5H3
InChIKeyTWTPUXVFKWNUMG-UHFFFAOYSA-N
XLogP2.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate (CID 136571569) is tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate is COc1ccc(C2CCC2NCC(C)(O)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate?
The InChIKey is TWTPUXVFKWNUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-18(2,3)24-17(21)19(4,22)12-20-16-11-10-15(16)13-6-8-14(23-5)9-7-13/h6-9,15-16,20,22H,10-12H2,1-5H3.
What are the key properties of tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate?
tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate has a molecular weight of 335.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate is sourced from PubChem (CID 136571569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).