tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid

C14H19NO3 — CID 67064765

IUPACtert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C[C@H]1c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyLCRWBGHNEBSJFW-NWDGAFQWSA-N
MW249.31 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid

tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid (PubChem CID 67064765) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid
PubChem CID67064765
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C[C@H]1c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyLCRWBGHNEBSJFW-NWDGAFQWSA-N
XLogP3.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid (CID 67064765) is tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1C[C@H]1c1ccc(O)cc1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid?
The InChIKey is LCRWBGHNEBSJFW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)15(13(17)18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-12,16H,8H2,1-3H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid?
tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 67064765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).