tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C25H35N2O3P — CID 146168799

IUPACtert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35N2O3P/c1-18(2)22(27-23(28)19(3)26-24(29)30-25(4,5)6)17-31(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22H,17H2,1-6H3,(H,26,29)(H,27,28)/t19-,22-/m1/s1
InChIKeyWKNWAXBDEATSQU-DENIHFKCSA-N
MW442.54 g/mol
LogP4.17
Rot. Bonds8

About tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 146168799) has the molecular formula C25H35N2O3P and a molecular weight of 442.54 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID146168799
Molecular FormulaC25H35N2O3P
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Nametert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35N2O3P/c1-18(2)22(27-23(28)19(3)26-24(29)30-25(4,5)6)17-31(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22H,17H2,1-6H3,(H,26,29)(H,27,28)/t19-,22-/m1/s1
InChIKeyWKNWAXBDEATSQU-DENIHFKCSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 146168799) is tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate is CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is WKNWAXBDEATSQU-DENIHFKCSA-N. The full InChI is InChI=1S/C25H35N2O3P/c1-18(2)22(27-23(28)19(3)26-24(29)30-25(4,5)6)17-31(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22H,17H2,1-6H3,(H,26,29)(H,27,28)/t19-,22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 442.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 146168799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).