tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate

C16H26N2O2 — CID 102537977

IUPACtert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-11(2)14(18-15(19)20-16(3,4)5)13(17)12-9-7-6-8-10-12/h6-11,13-14H,17H2,1-5H3,(H,18,19)
InChIKeyJIMJVFSLVVNKKW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.24
Rot. Bonds4

About tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate

tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate (PubChem CID 102537977) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
PubChem CID102537977
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-11(2)14(18-15(19)20-16(3,4)5)13(17)12-9-7-6-8-10-12/h6-11,13-14H,17H2,1-5H3,(H,18,19)
InChIKeyJIMJVFSLVVNKKW-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-[(2S)-1-[[(1S,2S)-2-amino-1,2-diphenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56601828
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
methyl (2S,3R)-2-(benzhydrylideneamino)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 135065775
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamate
CID 59875757
benzyl carbamate;2,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 143560151
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate (CID 102537977) is tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(N)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate?
The InChIKey is JIMJVFSLVVNKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)14(18-15(19)20-16(3,4)5)13(17)12-9-7-6-8-10-12/h6-11,13-14H,17H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 102537977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).