tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate

C13H26N2O3 — CID 95174235

IUPACtert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC[C@H](C)N(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(16)10(3)14-12(17)18-13(4,5)6/h9-10H,8H2,1-7H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyQZQPVHUTGOMADW-UWVGGRQHSA-N
MW258.36 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 95174235) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID95174235
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
SMILESCC[C@H](C)N(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(16)10(3)14-12(17)18-13(4,5)6/h9-10H,8H2,1-7H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyQZQPVHUTGOMADW-UWVGGRQHSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[methyl(pentan-3-yl)amino]-1-oxopropan-2-yl]carbamate
CID 71936586
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 14824170
tert-butyl N-[(2R)-1-[ethyl(hydroxy)amino]-1-oxopropan-2-yl]carbamate
CID 89421028
(2R)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175023707
tert-butyl N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
CID 130272618
tert-butyl N-[(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 47452025
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate
CID 74817225
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2S)-1-[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95181597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate (CID 95174235) is tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate is CC[C@H](C)N(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is QZQPVHUTGOMADW-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(16)10(3)14-12(17)18-13(4,5)6/h9-10H,8H2,1-7H3,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 95174235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).