tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate

C18H35BN2O5 — CID 149117099

IUPACtert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC(B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C18H35BN2O5/c1-11(2)13(19-25-17(7,8)18(9,10)26-19)21-14(22)12(3)20-15(23)24-16(4,5)6/h11-13H,1-10H3,(H,20,23)(H,21,22)
InChIKeyQYTWPAHUBKRNCP-UHFFFAOYSA-N
MW370.30 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 149117099) has the molecular formula C18H35BN2O5 and a molecular weight of 370.30 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID149117099
Molecular FormulaC18H35BN2O5
Molecular Weight370.30 g/mol
Exact Mass370.26
IUPAC Nametert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC(B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C18H35BN2O5/c1-11(2)13(19-25-17(7,8)18(9,10)26-19)21-14(22)12(3)20-15(23)24-16(4,5)6/h11-13H,1-10H3,(H,20,23)(H,21,22)
InChIKeyQYTWPAHUBKRNCP-UHFFFAOYSA-N
XLogP2.67
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]carbamate
CID 167729474
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
CID 138039606
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 51050043
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]carbamate
CID 167727881
tert-butyl N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]carbamate
CID 154719648
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate (CID 149117099) is tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NC(B1OC(C)(C)C(C)(C)O1)C(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is QYTWPAHUBKRNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BN2O5/c1-11(2)13(19-25-17(7,8)18(9,10)26-19)21-14(22)12(3)20-15(23)24-16(4,5)6/h11-13H,1-10H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 370.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 149117099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).