tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate

C22H30N2O3 — CID 14704379

IUPACtert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19+,20-/m1/s1
InChIKeyDBVORMANDZVFIG-HSALFYBXSA-N
MW370.49 g/mol
LogP3.05
Rot. Bonds7

About tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate

tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate (PubChem CID 14704379) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
PubChem CID14704379
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nametert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19+,20-/m1/s1
InChIKeyDBVORMANDZVFIG-HSALFYBXSA-N
XLogP3.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
N-carbobenzoxy-L-phenylalanilol
CID 853481
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
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
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-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butylsulfanyl)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455717
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-[(tert-butylcarbamoyl)amino]-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455718
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-[(3-methylbutyl)carbamoyl]-1-phenylpentan-2-yl]carbamate
CID 5480981

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate (CID 14704379) is tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](N)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The InChIKey is DBVORMANDZVFIG-HSALFYBXSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19+,20-/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate is sourced from PubChem (CID 14704379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).