tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate

C14H22N2O3 — CID 154958411

IUPACtert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-4-6-12(17)7-5-10/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeySRGYOIOLSMXNLU-NSHDSACASA-N
MW266.34 g/mol
LogP1.79
Rot. Bonds4

About tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate

tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate (PubChem CID 154958411) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
PubChem CID154958411
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-4-6-12(17)7-5-10/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeySRGYOIOLSMXNLU-NSHDSACASA-N
XLogP1.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
CID 84729781
tert-butyl N-[(E)-4-[1-(4-hydroxyphenyl)propan-2-ylamino]but-2-enyl]carbamate
CID 107252787
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
bis((2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid);zinc
CID 11114823
tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
CID 84730927
tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[[(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]propanoate
CID 100959172
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
tert-butyl (4R)-5-(4-hydroxyphenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 135352945
tert-butyl N-[(2S,5S)-5-amino-6-(4-hydroxyphenyl)-3,4-dioxo-1-phenylhexan-2-yl]carbamate
CID 71159599
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate (CID 154958411) is tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate?
The InChIKey is SRGYOIOLSMXNLU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-4-6-12(17)7-5-10/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate?
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 154958411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).