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

C12H15NO3 — CID 23279224

IUPAC2-[acetyl(2-phenylethyl)amino]acetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO3/c1-10(14)13(9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyKTAQAILHRQDFQP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.16
Rot. Bonds5

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

2-[acetyl(2-phenylethyl)amino]acetic acid (PubChem CID 23279224) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[acetyl(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(2-phenylethyl)amino]acetic acid
PubChem CID23279224
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[acetyl(2-phenylethyl)amino]acetic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO3/c1-10(14)13(9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyKTAQAILHRQDFQP-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(2-phenylethyl)amino]acetic acid (CID 23279224) is 2-[acetyl(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(2-phenylethyl)amino]acetic acid is CC(=O)N(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[acetyl(2-phenylethyl)amino]acetic acid?
The InChIKey is KTAQAILHRQDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-10(14)13(9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[acetyl(2-phenylethyl)amino]acetic acid?
2-[acetyl(2-phenylethyl)amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 23279224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).