2-[carboxymethyl(2-phenylethyl)amino]acetic acid

C12H15NO4 — CID 771651

IUPAC2-[carboxymethyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO4/c14-11(15)8-13(9-12(16)17)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyPBYJLBUURZPPFG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds7

About 2-[carboxymethyl(2-phenylethyl)amino]acetic acid

2-[carboxymethyl(2-phenylethyl)amino]acetic acid (PubChem CID 771651) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[carboxymethyl(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-phenylethyl)amino]acetic acid
PubChem CID771651
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[carboxymethyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO4/c14-11(15)8-13(9-12(16)17)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyPBYJLBUURZPPFG-UHFFFAOYSA-N
XLogP0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-phenylethyl)amino]acetic acid (CID 771651) is 2-[carboxymethyl(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-phenylethyl)amino]acetic acid?
The InChIKey is PBYJLBUURZPPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(15)8-13(9-12(16)17)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(2-phenylethyl)amino]acetic acid?
2-[carboxymethyl(2-phenylethyl)amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 771651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).