2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid

C15H22N2O3 — CID 103263785

IUPAC2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)CNC(=O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17-14(18)10-16-9-13-5-3-12(4-6-13)7-15(19)20/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQWZBFKHWTOHYNH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds8

About 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid

2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid (PubChem CID 103263785) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
PubChem CID103263785
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)CNC(=O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17-14(18)10-16-9-13-5-3-12(4-6-13)7-15(19)20/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQWZBFKHWTOHYNH-UHFFFAOYSA-N
XLogP1.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
N-(2-methylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115621832
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
2-[4-[(4-hydroxypentylamino)methyl]phenyl]acetic acid
CID 114148480
2-[4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfinylphenyl]acetic acid
CID 64929959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid (CID 103263785) is 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid is CC(C)CNC(=O)CNCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The InChIKey is QWZBFKHWTOHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-17-14(18)10-16-9-13-5-3-12(4-6-13)7-15(19)20/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103263785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).