2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid

C15H22N2O3 — CID 106916306

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

About 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid

2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid (PubChem CID 106916306) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
PubChem CID106916306
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
SMILESCNC(=O)C(C)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(15(20)16-2)9-17(3)10-13-6-4-12(5-7-13)8-14(18)19/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMZTUXDAKBGRLIN-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
3-[(2-carbamothioylphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106915708
4-[[2-carboxypropyl(methyl)amino]methyl]benzoic acid
CID 82328751

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid (CID 106916306) is 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid is CNC(=O)C(C)CN(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid?
The InChIKey is MZTUXDAKBGRLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(20)16-2)9-17(3)10-13-6-4-12(5-7-13)8-14(18)19/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid?
2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.13, 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-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 106916306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).