2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid

C16H17NO3 — CID 61021983

IUPAC2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-2-17(11-16(19)20)15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyXPVRAWCLXGEMMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds5

About 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid

2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid (PubChem CID 61021983) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
PubChem CID61021983
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-2-17(11-16(19)20)15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyXPVRAWCLXGEMMJ-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
CID 78901900
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid (CID 61021983) is 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid is CCN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The InChIKey is XPVRAWCLXGEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-17(11-16(19)20)15(18)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid is sourced from PubChem (CID 61021983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).