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

C22H30NO2P — CID 15145877

IUPACtert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H30NO2P/c1-17(2)20(23-21(24)25-22(3,4)5)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyBIMQNJOVDDUOFL-HXUWFJFHSA-N
MW371.46 g/mol
LogP4.67
Rot. Bonds6

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

tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate (PubChem CID 15145877) has the molecular formula C22H30NO2P and a molecular weight of 371.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
PubChem CID15145877
Molecular FormulaC22H30NO2P
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H30NO2P/c1-17(2)20(23-21(24)25-22(3,4)5)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyBIMQNJOVDDUOFL-HXUWFJFHSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
CID 10738865
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
CID 15145878
methyl (2R)-3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 23630943
tert-butyl N-[(2S)-3-methyl-1-phenylselanylbutan-2-yl]carbamate
CID 24874554
Methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 74072994
4-t-Boc-amino-1,7-diphenyl-1,6-heptadiene
CID 101166481
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677
methyl (2R)-3-diphenylphosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102510579
1,1-Dimethylethyl N-((2E)-1-(1-methylethyl)-3-phenyl-2-propen-1-yl)carbamate
CID 102537757
tert-butyl N-[(E,3S)-4-methyl-1-phenylpent-1-en-3-yl]carbamate
CID 124490923
tert-butyl (2S)-2-(diphenylphosphanylmethyl)-2,5-dihydropyrrole-1-carboxylate
CID 132566679
methyl (2R)-3-diphenylphosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134864742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate (CID 15145877) is tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate?
The InChIKey is BIMQNJOVDDUOFL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30NO2P/c1-17(2)20(23-21(24)25-22(3,4)5)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate has a molecular weight of 371.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 15145877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).