tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate

C15H22N2O3 — CID 107237513

IUPACtert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccccc1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-11(12)16-9-10-6-4-5-7-13(10)18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyUKCCIHVUPPMQSG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate

tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate (PubChem CID 107237513) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
PubChem CID107237513
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccccc1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-11(12)16-9-10-6-4-5-7-13(10)18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyUKCCIHVUPPMQSG-UHFFFAOYSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536
tert-butyl N-[2-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]cyclopropyl]carbamate
CID 107238105
tert-butyl N-[2-[(2,5-dimethylphenyl)methylamino]cyclopropyl]carbamate
CID 107237951
tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
CID 107237817
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237605
tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
CID 107237802
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238273

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate (CID 107237513) is tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCc1ccccc1O.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate?
The InChIKey is UKCCIHVUPPMQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-11(12)16-9-10-6-4-5-7-13(10)18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).