tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C25H35N2O3P — CID 155930992

IUPACtert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N2O3P/c1-18(2)22(27-24(29)30-25(4,5)6)23(28)26-19(3)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,26,28)(H,27,29)/t19-,22-/m0/s1
InChIKeyKVKPZCKLHVKJJB-UGKGYDQZSA-N
MW442.54 g/mol
LogP4.17
Rot. Bonds8

About tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 155930992) has the molecular formula C25H35N2O3P and a molecular weight of 442.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID155930992
Molecular FormulaC25H35N2O3P
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N2O3P/c1-18(2)22(27-24(29)30-25(4,5)6)23(28)26-19(3)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,26,28)(H,27,29)/t19-,22-/m0/s1
InChIKeyKVKPZCKLHVKJJB-UGKGYDQZSA-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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Related Compounds

tert-butyl N-[(2S)-1-[[(2S)-1-[bromo-[(2,3,4,5,6-pentafluorophenyl)methyl]-diphenyl-lambda5-phosphanyl]-3-methylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 164672579
tert-butyl N-[1-[[(2S)-1-[bromo-[(2,3,4,5,6-pentafluorophenyl)methyl]-diphenyl-lambda5-phosphanyl]-3-methylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 164677698
tert-butyl N-[1-[[(2S)-1-[bromo-[(2,3,4,5,6-pentafluorophenyl)methyl]-diphenyl-lambda5-phosphanyl]-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 164678881
tert-butyl N-[(2R)-6-amino-1-(2,2-diphenylethylamino)-1-oxohexan-2-yl]carbamate
CID 141630102
tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
CID 10738865
tert-butyl N-[(2S)-1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 11248368
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
CID 15145877
tert-butyl N-[(2S)-1-[(2S)-2-[bis(2-methylphenyl)phosphanylmethyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 44466801
tert-butyl N-[(2S)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 60201108
tert-butyl N-[(2R)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101777670
tert-butyl N-[(2S)-1-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 101807976
Methyl 2-[2-[2-[chloro(triphenyl)-lambda5-phosphanyl]ethoxycarbonylamino]propanoylamino]-4-methylpentanoate
CID 134976525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 155930992) is tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is KVKPZCKLHVKJJB-UGKGYDQZSA-N. The full InChI is InChI=1S/C25H35N2O3P/c1-18(2)22(27-24(29)30-25(4,5)6)23(28)26-19(3)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,26,28)(H,27,29)/t19-,22-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-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-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 155930992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).