2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate

C13H26N2O4 — CID 175605788

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-9(14-10(16)19-13(5,6)7)8-18-11(17)15-12(2,3)4/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyPWQVBRMRUQHPHT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate

2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate (PubChem CID 175605788) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
PubChem CID175605788
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-9(14-10(16)19-13(5,6)7)8-18-11(17)15-12(2,3)4/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyPWQVBRMRUQHPHT-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate (CID 175605788) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate is CC(COC(=O)NC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate?
The InChIKey is PWQVBRMRUQHPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(14-10(16)19-13(5,6)7)8-18-11(17)15-12(2,3)4/h9H,8H2,1-7H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate is sourced from PubChem (CID 175605788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).