2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid

C17H19NO3 — CID 63701697

IUPAC2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-4-18(12(2)19)17(3,16(20)21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyWBUUABVRQOPUBR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.01
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid

2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid (PubChem CID 63701697) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
PubChem CID63701697
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO3/c1-4-18(12(2)19)17(3,16(20)21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyWBUUABVRQOPUBR-UHFFFAOYSA-N
XLogP3.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanoic acid;hydrochloride
CID 138400958
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
CID 43803468
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid (CID 63701697) is 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid is CCN(C(C)=O)C(C)(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid?
The InChIKey is WBUUABVRQOPUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-18(12(2)19)17(3,16(20)21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid?
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 63701697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).