2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

C10H20N2O4 — CID 118599467

IUPAC2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESCON(C)C(=O)CN(CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)7-12(9(14)15)6-8(13)11(4)16-5/h6-7H2,1-5H3,(H,14,15)
InChIKeyBVIWXLMNWIKHEO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds4

About 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (PubChem CID 118599467) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
PubChem CID118599467
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESCON(C)C(=O)CN(CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)7-12(9(14)15)6-8(13)11(4)16-5/h6-7H2,1-5H3,(H,14,15)
InChIKeyBVIWXLMNWIKHEO-UHFFFAOYSA-N
XLogP1.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-3-yl]-methylcarbamic acid
CID 170338570
2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide
CID 54528314
N-methoxy-N-methylpropanamide
CID 11344007
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
2,2-dimethylpropyl(prop-2-ynyl)carbamic acid
CID 130449168
N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115001724
[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 150950149
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
CID 143525018

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The IUPAC name of 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (CID 118599467) is 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is CON(C)C(=O)CN(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The InChIKey is BVIWXLMNWIKHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)7-12(9(14)15)6-8(13)11(4)16-5/h6-7H2,1-5H3,(H,14,15).
What are the key properties of 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid has a molecular weight of 232.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 118599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).