tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate

C16H26N2O4 — CID 130848205

IUPACtert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
SMILESC[C@H]([C@H](CO)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C16H26N2O4/c1-12(18(21)10-13-8-6-5-7-9-13)14(11-19)17-15(20)22-16(2,3)4/h5-9,12,14,19,21H,10-11H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyFGHARJFHJVYCQR-OCCSQVGLSA-N
MW310.39 g/mol
LogP2.15
Rot. Bonds6

About tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate (PubChem CID 130848205) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
PubChem CID130848205
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
SMILESC[C@H]([C@H](CO)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C16H26N2O4/c1-12(18(21)10-13-8-6-5-7-9-13)14(11-19)17-15(20)22-16(2,3)4/h5-9,12,14,19,21H,10-11H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyFGHARJFHJVYCQR-OCCSQVGLSA-N
XLogP2.15
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
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-[(2R,3S)-2-[benzyl(hydroxy)amino]-4-methylpentan-3-yl]carbamate
CID 130869227
tert-butyl N-[(1S,2S)-1-[benzyl(hydroxy)amino]-1-cyanopropan-2-yl]carbamate
CID 7056297
tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57059484
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
CID 102069202
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
CID 122360905
tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 130647619
methyl (2S,3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoate
CID 102008940
methyl (2R,3R)-4-acetyloxy-2-[acetyloxy(benzyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10575007
tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
CID 175047776
tert-butyl 2-[benzyl-[(2R,3R)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetate
CID 163246300

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate (CID 130848205) is tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate is C[C@H]([C@H](CO)NC(=O)OC(C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate?
The InChIKey is FGHARJFHJVYCQR-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-12(18(21)10-13-8-6-5-7-9-13)14(11-19)17-15(20)22-16(2,3)4/h5-9,12,14,19,21H,10-11H2,1-4H3,(H,17,20)/t12-,14+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 130848205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).