tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate

C16H21NO4 — CID 59978643

IUPACtert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@]1(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C16H21NO4/c1-15(2,3)21-13(19)12-9-16(12,14(17)20)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H2,17,20)/t12?,16-/m0/s1
InChIKeyNKFHXTIJKOLXEE-INSVYWFGSA-N
MW291.35 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate

tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 59978643) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID59978643
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nametert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@]1(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C16H21NO4/c1-15(2,3)21-13(19)12-9-16(12,14(17)20)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H2,17,20)/t12?,16-/m0/s1
InChIKeyNKFHXTIJKOLXEE-INSVYWFGSA-N
XLogP1.77
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159228819
CID 159228819
tert-butyl (2R)-2-carbamothioyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;tert-butyl (2R)-2-carbamoyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;tert-butyl (2R)-2-cyano-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;methane
CID 158171144
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
tert-butyl (2R)-2-(3-hydroxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 142258747
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
CID 59978406
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;tert-butyl bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate
CID 67747587
tert-butyl (5S)-5-amino-6-(4-hydroxyphenyl)-4-oxohexanoate
CID 160747680
6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid
CID 67007096
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
tert-butyl N-carbamimidoyl-N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 70102944

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate (CID 59978643) is tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1C[C@]1(Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is NKFHXTIJKOLXEE-INSVYWFGSA-N. The full InChI is InChI=1S/C16H21NO4/c1-15(2,3)21-13(19)12-9-16(12,14(17)20)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H2,17,20)/t12?,16-/m0/s1.
What are the key properties of tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59978643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).