tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate

C11H23N3O3 — CID 87125447

IUPACtert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)13-8(7-12-4)9(15)14(5)6/h8,12H,7H2,1-6H3,(H,13,16)
InChIKeyHVULEEMGIVABSY-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.19
Rot. Bonds4

About tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 87125447) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID87125447
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Nametert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)13-8(7-12-4)9(15)14(5)6/h8,12H,7H2,1-6H3,(H,13,16)
InChIKeyHVULEEMGIVABSY-UHFFFAOYSA-N
XLogP0.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 89440433
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
CID 142556897
tert-butyl 4-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87440029
(2S)-3-[(2-methylpropan-2-yl)oxyamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 139885589
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
chloromethyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 165439685
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate (CID 87125447) is tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate is CNCC(NC(=O)OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is HVULEEMGIVABSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)13-8(7-12-4)9(15)14(5)6/h8,12H,7H2,1-6H3,(H,13,16).
What are the key properties of tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 87125447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).