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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Related Compounds

tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 135251327
3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
CID 136571570
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
tert-butyl 2-[(3S)-1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]acetate
CID 161142498
tert-butyl (4R,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 153406776
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
8-O-tert-butyl 2-O-methyl 3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
CID 145270478
8-O-tert-butyl 2-O-methyl (1S,2S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
CID 138743421
tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 145270473

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).