tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate

C12H24N2O3 — CID 87756402

IUPACtert-butyl N-[3-(tert-butylamino)propanoyl]carbamate
SMILESCC(C)(C)NCCC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)13-8-7-9(15)14-10(16)17-12(4,5)6/h13H,7-8H2,1-6H3,(H,14,15,16)
InChIKeyADWYRQJJJCDNDC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate

tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate (PubChem CID 87756402) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(tert-butylamino)propanoyl]carbamate
PubChem CID87756402
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[3-(tert-butylamino)propanoyl]carbamate
SMILESCC(C)(C)NCCC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)13-8-7-9(15)14-10(16)17-12(4,5)6/h13H,7-8H2,1-6H3,(H,14,15,16)
InChIKeyADWYRQJJJCDNDC-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-hex-5-enoylcarbamate
CID 101433045
tert-butyl N-propanoylcarbamate;molecular fluorine
CID 90778039
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 11470624
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
3-(tert-butylamino)-N-(2-methylcyclopropyl)propanamide
CID 62398948
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate?
The IUPAC name of tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate (CID 87756402) is tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate is CC(C)(C)NCCC(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate?
The InChIKey is ADWYRQJJJCDNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)13-8-7-9(15)14-10(16)17-12(4,5)6/h13H,7-8H2,1-6H3,(H,14,15,16).
What are the key properties of tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate?
tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate is sourced from PubChem (CID 87756402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).