2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C9H18N2O3 — CID 62820937

IUPAC2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6-10(4)8(14)11(5)9(2,3)7(12)13/h6H2,1-5H3,(H,12,13)
InChIKeyMYTGSLWUJSKFNI-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.85
Rot. Bonds3

About 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid

2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62820937) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62820937
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6-10(4)8(14)11(5)9(2,3)7(12)13/h6H2,1-5H3,(H,12,13)
InChIKeyMYTGSLWUJSKFNI-UHFFFAOYSA-N
XLogP0.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 55123997
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62822215
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821658
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821665
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
CID 22683291
2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
2-[(2-amino-2-methylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819720
2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818406
2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
CID 65228639
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 62820937) is 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCN(C)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is MYTGSLWUJSKFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6-10(4)8(14)11(5)9(2,3)7(12)13/h6H2,1-5H3,(H,12,13).
What are the key properties of 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).