2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid

C21H19NO3 — CID 44601509

IUPAC2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H19NO3/c23-20(14-16-10-11-17-8-4-5-9-18(17)12-16)22-19(21(24)25)13-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,23)(H,24,25)
InChIKeyRAMOIDMRYYAEAV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.19
Rot. Bonds6

About 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid

2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid (PubChem CID 44601509) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid
PubChem CID44601509
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H19NO3/c23-20(14-16-10-11-17-8-4-5-9-18(17)12-16)22-19(21(24)25)13-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,23)(H,24,25)
InChIKeyRAMOIDMRYYAEAV-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid (CID 44601509) is 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid is O=C(Cc1ccc2ccccc2c1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid?
The InChIKey is RAMOIDMRYYAEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-20(14-16-10-11-17-8-4-5-9-18(17)12-16)22-19(21(24)25)13-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid?
2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid has a molecular weight of 333.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 44601509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).