tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate

C14H21NO3 — CID 10634505

IUPACtert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(16)12(11-8-6-5-7-9-11)15-13(17)18-14(2,3)4/h5-10,12,16H,1-4H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyUBEJJZQIWCNBQU-PWSUYJOCSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate

tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate (PubChem CID 10634505) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate
PubChem CID10634505
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(16)12(11-8-6-5-7-9-11)15-13(17)18-14(2,3)4/h5-10,12,16H,1-4H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyUBEJJZQIWCNBQU-PWSUYJOCSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-Butyl {(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl}carbamate
CID 9813904
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid
CID 2755953
(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 11010409
Aminodiol deriv. 15a
CID 455712
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 571805
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate (CID 10634505) is tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate is C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate?
The InChIKey is UBEJJZQIWCNBQU-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)12(11-8-6-5-7-9-11)15-13(17)18-14(2,3)4/h5-10,12,16H,1-4H3,(H,15,17)/t10-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate?
tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-hydroxy-1-phenylpropyl]carbamate is sourced from PubChem (CID 10634505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).