2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid

C15H20ClNO3 — CID 119192835

IUPAC2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-11(2)9-17(10-15(19)20)14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyQTCCKAWGVNPFGA-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.84
Rot. Bonds7

About 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid

2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 119192835) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID119192835
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-11(2)9-17(10-15(19)20)14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyQTCCKAWGVNPFGA-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
CID 119192719
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
2-[3-(2-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63071063
2-[3-[3-(methylcarbamoyl)phenyl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 120517155
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid (CID 119192835) is 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is QTCCKAWGVNPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11(2)9-17(10-15(19)20)14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid?
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 297.78 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).