tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate

C16H24FNO4 — CID 140879382

IUPACtert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)[C@H](F)COCc1ccccc1
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18-9-14(19)13(17)11-21-10-12-7-5-4-6-8-12/h4-8,13-14,19H,9-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyHHNDSNMQVZVJFX-KGLIPLIRSA-N
MW313.37 g/mol
LogP2.43
Rot. Bonds7

About tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate

tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate (PubChem CID 140879382) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
PubChem CID140879382
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Nametert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)[C@H](F)COCc1ccccc1
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18-9-14(19)13(17)11-21-10-12-7-5-4-6-8-12/h4-8,13-14,19H,9-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyHHNDSNMQVZVJFX-KGLIPLIRSA-N
XLogP2.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
CID 86645501
tert-butyl N-(3,3-difluoro-1-phenylmethoxypent-4-en-2-yl)carbamate
CID 171548047
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
tert-butyl N-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]carbamate
CID 174718495
tert-butyl N-[(2S)-1-oxo-3-phenylmethoxy-1-(prop-2-ynylamino)propan-2-yl]carbamate
CID 11500892
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate (CID 140879382) is tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)[C@H](F)COCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate?
The InChIKey is HHNDSNMQVZVJFX-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18-9-14(19)13(17)11-21-10-12-7-5-4-6-8-12/h4-8,13-14,19H,9-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate?
tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate has a molecular weight of 313.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate is sourced from PubChem (CID 140879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).