4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid

C20H19N3O3 — CID 18886284

IUPAC4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
SMILESO=C(CC(NCc1ccccn1)C(=O)O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3/c24-19(23-16-9-8-14-5-1-2-6-15(14)11-16)12-18(20(25)26)22-13-17-7-3-4-10-21-17/h1-11,18,22H,12-13H2,(H,23,24)(H,25,26)
InChIKeyRBSSLYOXXZSITC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.81
Rot. Bonds7

About 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid

4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid (PubChem CID 18886284) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
PubChem CID18886284
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
SMILESO=C(CC(NCc1ccccn1)C(=O)O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3/c24-19(23-16-9-8-14-5-1-2-6-15(14)11-16)12-18(20(25)26)22-13-17-7-3-4-10-21-17/h1-11,18,22H,12-13H2,(H,23,24)(H,25,26)
InChIKeyRBSSLYOXXZSITC-UHFFFAOYSA-N
XLogP2.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592793
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7422315
4-(2-methoxy-5-nitroanilino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
CID 18858510
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
(2R)-2-(benzylamino)-4-(3-hydroxyanilino)-4-oxobutanoic acid
CID 40650928
(2R)-2-(benzylamino)-4-(3-chloro-4-methylanilino)-4-oxobutanoic acid
CID 6936442
(2R)-4-(3,4-dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
CID 51400028
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The IUPAC name of 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid (CID 18886284) is 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid.
What is the SMILES notation for 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The canonical SMILES for 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid is O=C(CC(NCc1ccccn1)C(=O)O)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
The InChIKey is RBSSLYOXXZSITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(23-16-9-8-14-5-1-2-6-15(14)11-16)12-18(20(25)26)22-13-17-7-3-4-10-21-17/h1-11,18,22H,12-13H2,(H,23,24)(H,25,26).
What are the key properties of 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid?
4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid has a molecular weight of 349.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid is sourced from PubChem (CID 18886284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).