tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate

C10H20N2O3 — CID 58446238

IUPACtert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
SMILESCNC(C)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(11-5)8(13)12(6)9(14)15-10(2,3)4/h7,11H,1-6H3
InChIKeyZSAFIWSYHFPHEB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds2

About tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate

tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate (PubChem CID 58446238) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
PubChem CID58446238
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
SMILESCNC(C)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(11-5)8(13)12(6)9(14)15-10(2,3)4/h7,11H,1-6H3
InChIKeyZSAFIWSYHFPHEB-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63966379
tert-butyl (4S)-2-hydroxy-2-methyl-4-(methylamino)-3-oxopentanoate
CID 87472628
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
CID 102192656
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
CID 170975536
methyl (2S,3R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 169042630
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate (CID 58446238) is tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate is CNC(C)C(=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate?
The InChIKey is ZSAFIWSYHFPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(11-5)8(13)12(6)9(14)15-10(2,3)4/h7,11H,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate?
tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate is sourced from PubChem (CID 58446238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).