2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid

C15H22N2O3 — CID 65063964

IUPAC2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)Nc1ccc(CN(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17(10-15(19)20)9-13-4-6-14(7-5-13)16-12(3)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyISCKJONGGVTSPJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds7

About 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid

2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 65063964) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID65063964
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)Nc1ccc(CN(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-17(10-15(19)20)9-13-4-6-14(7-5-13)16-12(3)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyISCKJONGGVTSPJ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114938741
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064153
3-[(4-acetamidophenyl)methyl-tert-butylamino]propanoic acid
CID 65058574
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
CID 65068255
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid (CID 65063964) is 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid is CC(=O)Nc1ccc(CN(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is ISCKJONGGVTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-17(10-15(19)20)9-13-4-6-14(7-5-13)16-12(3)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65063964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).