[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate

C11H20N2O3 — CID 165094607

IUPAC[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate
SMILESC=NC(=O)N(C)COC(=O)C(C)(C)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)11(3,4)9(14)16-7-13(6)10(15)12-5/h8H,5,7H2,1-4,6H3
InChIKeyXGZVPVBGUKKZNF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds4

About [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate

[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate (PubChem CID 165094607) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate
PubChem CID165094607
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate
SMILESC=NC(=O)N(C)COC(=O)C(C)(C)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)11(3,4)9(14)16-7-13(6)10(15)12-5/h8H,5,7H2,1-4,6H3
InChIKeyXGZVPVBGUKKZNF-UHFFFAOYSA-N
XLogP1.92
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(diaminomethylideneamino) 2,2,3-trimethylbutanoate
CID 140539809
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
2-methylprop-2-enoyl 2,2,3-trimethylbutanoate
CID 101145918
carboxymethyl-dimethyl-[2-(2,2,3-trimethylbutanoyloxy)ethyl]azanium
CID 59753071
tert-butyl N-(2-aminopropoxy)-N-methylcarbamate
CID 105456367
anthracene;ethane;ethyl 2,2,3-trimethylbutanoate
CID 164954844
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782
hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
CID 175429579

Frequently Asked Questions

What is the IUPAC name of [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate?
The IUPAC name of [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate (CID 165094607) is [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate.
What is the SMILES notation for [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate?
The canonical SMILES for [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate is C=NC(=O)N(C)COC(=O)C(C)(C)C(C)C.
What is the InChIKey of [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate?
The InChIKey is XGZVPVBGUKKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)11(3,4)9(14)16-7-13(6)10(15)12-5/h8H,5,7H2,1-4,6H3.
What are the key properties of [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate?
[methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(methylidenecarbamoyl)amino]methyl 2,2,3-trimethylbutanoate is sourced from PubChem (CID 165094607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).