tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C13H26N2O4 — CID 87856844

IUPACtert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-8-9(14-10(16)18-12(2,3)4)15-11(17)19-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyCOVUALLVCOCXRO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 87856844) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID87856844
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-8-9(14-10(16)18-12(2,3)4)15-11(17)19-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyCOVUALLVCOCXRO-UHFFFAOYSA-N
XLogP2.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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tert-butyl N-[(1R)-3-methyl-1-(propan-2-ylcarbamoylamino)butyl]carbamate
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tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
CID 62651256
tert-butyl N-[(3S)-pent-1-yn-3-yl]carbamate
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tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
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tert-butyl N-[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
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CID 102602622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (CID 87856844) is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is CCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is COVUALLVCOCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-8-9(14-10(16)18-12(2,3)4)15-11(17)19-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 87856844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).