2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid

C15H22N2O3 — CID 105345888

IUPAC2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)NC(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(5-7-13)8-15(19)20/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHITWJPFTNQDJOH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds7

About 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid

2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid (PubChem CID 105345888) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
PubChem CID105345888
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)NC(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(5-7-13)8-15(19)20/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHITWJPFTNQDJOH-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 55004984

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid (CID 105345888) is 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid is CC(C)NC(=O)CN(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid?
The InChIKey is HITWJPFTNQDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(5-7-13)8-15(19)20/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid?
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).