tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate

C16H23NO4 — CID 71508348

IUPACtert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate
SMILESCc1ccc(C(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)14(19)9-13(10-18)17-15(20)21-16(2,3)4/h5-8,13,18H,9-10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyMXBMLOKYXVALGJ-CYBMUJFWSA-N
MW293.36 g/mol
LogP2.45
Rot. Bonds5

About tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate (PubChem CID 71508348) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate
PubChem CID71508348
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate
SMILESCc1ccc(C(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)14(19)9-13(10-18)17-15(20)21-16(2,3)4/h5-8,13,18H,9-10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyMXBMLOKYXVALGJ-CYBMUJFWSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 15234707
tert-butyl N-[(2R)-1-hydroxy-4-oxo-4-thiophen-2-ylbutan-2-yl]carbamate
CID 71508403
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
tert-butyl N-[4-(4-cyanophenyl)-1-methoxy-4-oxobutan-2-yl]carbamate
CID 104855131
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
methyl (3R)-4-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 100991768
ethyl 4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 67151474
tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
CID 84729717
tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate
CID 104856519
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2R)-1-hydroxy-3-[2-(4-methylphenyl)-1,3-dithian-2-yl]propan-2-yl]carbamate
CID 71508398

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate (CID 71508348) is tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate is Cc1ccc(C(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate?
The InChIKey is MXBMLOKYXVALGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)14(19)9-13(10-18)17-15(20)21-16(2,3)4/h5-8,13,18H,9-10H2,1-4H3,(H,17,20)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-4-(4-methylphenyl)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 71508348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).