tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate

C10H20N2O5 — CID 167104195

IUPACtert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
SMILESCC(O)(O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-9(2,3)17-8(14)11-5-7(13)12-6-10(4,15)16/h15-16H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeySKRHIHWFFAUTGD-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.67
Rot. Bonds4

About tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate (PubChem CID 167104195) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
PubChem CID167104195
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Nametert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
SMILESCC(O)(O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-9(2,3)17-8(14)11-5-7(13)12-6-10(4,15)16/h15-16H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeySKRHIHWFFAUTGD-UHFFFAOYSA-N
XLogP-0.67
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoate
CID 154932329
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]ethyl N-aminocarbamate
CID 135302900
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate (CID 167104195) is tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate is CC(O)(O)CNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate?
The InChIKey is SKRHIHWFFAUTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-9(2,3)17-8(14)11-5-7(13)12-6-10(4,15)16/h15-16H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate has a molecular weight of 248.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 167104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).