4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid

C16H16N2O5 — CID 19038771

IUPAC4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)COc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H16N2O5/c17-14(19)8-12(16(21)22)18-15(20)9-23-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyDOINHJJXEXLJTK-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.66
Rot. Bonds7

About 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid

4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid (PubChem CID 19038771) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
PubChem CID19038771
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)COc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H16N2O5/c17-14(19)8-12(16(21)22)18-15(20)9-23-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyDOINHJJXEXLJTK-UHFFFAOYSA-N
XLogP0.66
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
CID 57063683
(2S)-2-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]butanedioic acid
CID 20659576
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
4-amino-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 43242018
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
CID 22299122
N-(4-methylpentan-2-yl)-2-naphthalen-1-yloxyacetamide
CID 11839391
4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 43216762
(2S)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 61145013
(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 107829798
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid (CID 19038771) is 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)COc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid?
The InChIKey is DOINHJJXEXLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c17-14(19)8-12(16(21)22)18-15(20)9-23-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H2,17,19)(H,18,20)(H,21,22).
What are the key properties of 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid?
4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid has a molecular weight of 316.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 19038771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).