tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate

C18H30N2O2 — CID 142634434

IUPACtert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-14(2)16(20-17(21)22-18(3,4)5)13-19-12-15-10-8-7-9-11-15/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21)/t14-,16+/m0/s1
InChIKeyLUWQZFAWAHXRNG-GOEBONIOSA-N
MW306.45 g/mol
LogP3.72
Rot. Bonds7

About tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate (PubChem CID 142634434) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
PubChem CID142634434
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-14(2)16(20-17(21)22-18(3,4)5)13-19-12-15-10-8-7-9-11-15/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21)/t14-,16+/m0/s1
InChIKeyLUWQZFAWAHXRNG-GOEBONIOSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
CID 142664864
(2S)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59611140
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-phenylpropanoic acid
CID 4059685
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2S)-5-(benzylamino)-4-hydroxy-1-phenylpentan-2-yl]carbamate
CID 66832875
tert-butyl N-[3-methyl-1-[(1-methylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
CID 103872055
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoic acid
CID 19078227
tert-butyl N-[(2S,3R)-3-hydroxy-4-[(4-nitrophenyl)methylamino]-1-phenylbutan-2-yl]carbamate
CID 91581123
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate (CID 142634434) is tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate is CC[C@H](C)[C@@H](CNCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate?
The InChIKey is LUWQZFAWAHXRNG-GOEBONIOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-14(2)16(20-17(21)22-18(3,4)5)13-19-12-15-10-8-7-9-11-15/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21)/t14-,16+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate is sourced from PubChem (CID 142634434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).