tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate

C19H26N2O4 — CID 102069202

IUPACtert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](c1ccco1)N(O)Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(20-18(22)25-19(2,3)4)17(16-11-8-12-24-16)21(23)13-15-9-6-5-7-10-15/h5-12,14,17,23H,13H2,1-4H3,(H,20,22)/t14-,17+/m0/s1
InChIKeyUYHMOQGRRUHURT-WMLDXEAASA-N
MW346.43 g/mol
LogP4.13
Rot. Bonds6

About tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate

tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate (PubChem CID 102069202) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
PubChem CID102069202
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](c1ccco1)N(O)Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(20-18(22)25-19(2,3)4)17(16-11-8-12-24-16)21(23)13-15-9-6-5-7-10-15/h5-12,14,17,23H,13H2,1-4H3,(H,20,22)/t14-,17+/m0/s1
InChIKeyUYHMOQGRRUHURT-WMLDXEAASA-N
XLogP4.13
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2S)-1-[benzyl(hydroxy)amino]-1-cyanopropan-2-yl]carbamate
CID 7056297
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[(2R,3S)-2-[benzyl(hydroxy)amino]-4-methylpentan-3-yl]carbamate
CID 130869227
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
CID 130848205
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 174058064
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
CID 130834870
tert-butyl N-[(2S)-4-cyano-4-(furan-2-yl)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 54418360
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate (CID 102069202) is tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@H](c1ccco1)N(O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate?
The InChIKey is UYHMOQGRRUHURT-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(20-18(22)25-19(2,3)4)17(16-11-8-12-24-16)21(23)13-15-9-6-5-7-10-15/h5-12,14,17,23H,13H2,1-4H3,(H,20,22)/t14-,17+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate?
tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 102069202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).