tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate

C11H22N4O4 — CID 112547146

IUPACtert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate
SMILESCC(C)NC(=O)CNC(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O4/c1-7(2)13-8(16)6-12-9(17)14-15-10(18)19-11(3,4)5/h7H,6H2,1-5H3,(H,13,16)(H,15,18)(H2,12,14,17)
InChIKeyNTSLLQJJAIPTLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.25
Rot. Bonds3

About tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate

tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate (PubChem CID 112547146) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate
PubChem CID112547146
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Nametert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate
SMILESCC(C)NC(=O)CNC(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O4/c1-7(2)13-8(16)6-12-9(17)14-15-10(18)19-11(3,4)5/h7H,6H2,1-5H3,(H,13,16)(H,15,18)(H2,12,14,17)
InChIKeyNTSLLQJJAIPTLO-UHFFFAOYSA-N
XLogP0.25
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
(2S)-2-[[(2S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]propanoic acid
CID 22855171
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 79801337
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]pentanoic acid
CID 61201554
tert-butyl N-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 11161731

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate?
The IUPAC name of tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate (CID 112547146) is tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate.
What is the SMILES notation for tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate?
The canonical SMILES for tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate is CC(C)NC(=O)CNC(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate?
The InChIKey is NTSLLQJJAIPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-7(2)13-8(16)6-12-9(17)14-15-10(18)19-11(3,4)5/h7H,6H2,1-5H3,(H,13,16)(H,15,18)(H2,12,14,17).
What are the key properties of tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate?
tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate has a molecular weight of 274.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]carbamate is sourced from PubChem (CID 112547146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).