2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid

C14H20N2O3 — CID 63066283

IUPAC2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-16(9-14(18)19)13(17)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,18,19)
InChIKeyXLHNMWPHVDSLJV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.38
Rot. Bonds6

About 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63066283) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63066283
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-16(9-14(18)19)13(17)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,18,19)
InChIKeyXLHNMWPHVDSLJV-UHFFFAOYSA-N
XLogP1.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 63066283) is 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is XLHNMWPHVDSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)8-16(9-14(18)19)13(17)7-11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).