2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid

C14H20N2O3 — CID 79788912

IUPAC2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
SMILESCCC(C)(NCC(=O)Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(3,13(18)19)15-9-12(17)16-11-7-5-6-10(2)8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDHASYECNOFZQQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid

2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid (PubChem CID 79788912) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
PubChem CID79788912
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
SMILESCCC(C)(NCC(=O)Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(3,13(18)19)15-9-12(17)16-11-7-5-6-10(2)8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDHASYECNOFZQQR-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789138
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 103911929
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801945
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801719
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylpentanoic acid
CID 43619579
2-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789622
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-[[2-(4-acetylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790725
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid (CID 79788912) is 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid is CCC(C)(NCC(=O)Nc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is DHASYECNOFZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(3,13(18)19)15-9-12(17)16-11-7-5-6-10(2)8-11/h5-8,15H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid?
2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 79788912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).