tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate

C19H32N2O3 — CID 59890919

IUPACtert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C[C@@H](O)C(N)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O3/c1-14(2)12-21(18(23)24-19(3,4)5)13-17(22)16(20)11-15-9-7-6-8-10-15/h6-10,14,16-17,22H,11-13,20H2,1-5H3/t16?,17-/m1/s1
InChIKeyRASWJYITSNBFSK-ZYMOGRSISA-N
MW336.48 g/mol
LogP2.81
Rot. Bonds7

About tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate

tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate (PubChem CID 59890919) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
PubChem CID59890919
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C[C@@H](O)C(N)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O3/c1-14(2)12-21(18(23)24-19(3,4)5)13-17(22)16(20)11-15-9-7-6-8-10-15/h6-10,14,16-17,22H,11-13,20H2,1-5H3/t16?,17-/m1/s1
InChIKeyRASWJYITSNBFSK-ZYMOGRSISA-N
XLogP2.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
CID 68714572
tert-butyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[(3-methoxyphenyl)methyl]carbamate
CID 58759815
tert-butyl N-(3-amino-2-hydroxy-4-phenylbutyl)-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 68823723
tert-butyl N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(benzylamino)carbamate
CID 67669797
tert-butyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 68826545
tert-butyl N-[3-[[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 91474995
tert-butyl N-benzyl-N-[(2S,3S)-2-hydroxy-3-(2-methylpropylamino)-4-phenylbutyl]carbamate
CID 67617922
tert-butyl N-[2-hydroxy-3-[(2-methyl-3-methylsulfonylpropanoyl)amino]-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 18731989
1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(2-methylpropyl)urea;3-tert-butyl-1-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-1-(2-methylpropyl)urea;methane;dihydrochloride
CID 161337763
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
(2S,3S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 10514918
(2S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 154522413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate (CID 59890919) is tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate is CC(C)CN(C[C@@H](O)C(N)Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate?
The InChIKey is RASWJYITSNBFSK-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14(2)12-21(18(23)24-19(3,4)5)13-17(22)16(20)11-15-9-7-6-8-10-15/h6-10,14,16-17,22H,11-13,20H2,1-5H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate?
tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate has a molecular weight of 336.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 59890919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).