2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

C15H22N2O3 — CID 79269292

IUPAC2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(11-14(19)20)10-13(18)16(4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,20)
InChIKeyBRPUGLUAHWNJBY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.83
Rot. Bonds5

About 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 79269292) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID79269292
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(11-14(19)20)10-13(18)16(4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,20)
InChIKeyBRPUGLUAHWNJBY-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62821021
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
CID 15344
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (CID 79269292) is 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is CN(C(=O)CN(CC(=O)O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is BRPUGLUAHWNJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)17(11-14(19)20)10-13(18)16(4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 79269292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).