tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate

C15H24N2O3 — CID 84730429

IUPACtert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)CCc1ccccc1O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-12(10-16)9-8-11-6-4-5-7-13(11)18/h4-7,12,18H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyHRKFKEPXYWPBGC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.18
Rot. Bonds5

About tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate

tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate (PubChem CID 84730429) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
PubChem CID84730429
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)CCc1ccccc1O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-12(10-16)9-8-11-6-4-5-7-13(11)18/h4-7,12,18H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyHRKFKEPXYWPBGC-UHFFFAOYSA-N
XLogP2.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(2-hydroxyphenyl)-1-oxobutan-2-yl]carbamate
CID 84730386
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
CID 176793158
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate
CID 71746734
benzyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 130376705
tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
CID 84729717
tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
CID 84729781
tert-butyl N-[(2S)-1-amino-3-(2-chloro-4-hydroxyphenyl)propan-2-yl]carbamate
CID 139568859
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoate
CID 100981195
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate (CID 84730429) is tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CN)CCc1ccccc1O.
What is the InChIKey of tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate?
The InChIKey is HRKFKEPXYWPBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-12(10-16)9-8-11-6-4-5-7-13(11)18/h4-7,12,18H,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate?
tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate is sourced from PubChem (CID 84730429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).