tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate

C15H23NO4 — CID 70799961

IUPACtert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1cccc(C(O)[C@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-7-6-8-12(9-11)19-5/h6-10,13,17H,1-5H3,(H,16,18)/t10-,13?/m0/s1
InChIKeyNSAJJOGMJBVOJY-NKUHCKNESA-N
MW281.35 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate (PubChem CID 70799961) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
PubChem CID70799961
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1cccc(C(O)[C@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-7-6-8-12(9-11)19-5/h6-10,13,17H,1-5H3,(H,16,18)/t10-,13?/m0/s1
InChIKeyNSAJJOGMJBVOJY-NKUHCKNESA-N
XLogP2.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 155749556
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
tert-butyl N-[3-[hydroxy-(3-methoxyphenyl)methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155220792
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
tert-butyl N-[(1R,2S)-2-amino-1-(4-chlorophenyl)-2-(3-methoxyphenyl)ethyl]carbamate
CID 118548096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate (CID 70799961) is tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate is COc1cccc(C(O)[C@H](C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate?
The InChIKey is NSAJJOGMJBVOJY-NKUHCKNESA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-7-6-8-12(9-11)19-5/h6-10,13,17H,1-5H3,(H,16,18)/t10-,13?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 70799961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).