tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate

C17H25NO3 — CID 135064343

IUPACtert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate
SMILESC[C@@H](C=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-13(12-19)15(18-16(20)21-17(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyNOOARBQYNJCCDD-DZGCQCFKSA-N
MW291.39 g/mol
LogP3.35
Rot. Bonds6

About tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate

tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate (PubChem CID 135064343) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate
PubChem CID135064343
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate
SMILESC[C@@H](C=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-13(12-19)15(18-16(20)21-17(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyNOOARBQYNJCCDD-DZGCQCFKSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate (CID 135064343) is tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate is C[C@@H](C=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate?
The InChIKey is NOOARBQYNJCCDD-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(12-19)15(18-16(20)21-17(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate?
tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-2-methyl-1-oxo-5-phenylpentan-3-yl]carbamate is sourced from PubChem (CID 135064343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).