3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid

C18H20N2O4 — CID 5000095

IUPAC3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CC(C(=O)Nc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C18H20N2O4/c21-17(22)12-16(20-7-9-24-10-8-20)18(23)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12H2,(H,19,23)(H,21,22)
InChIKeyULUHNAJSBGZFCA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds5

About 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid

3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid (PubChem CID 5000095) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
PubChem CID5000095
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CC(C(=O)Nc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C18H20N2O4/c21-17(22)12-16(20-7-9-24-10-8-20)18(23)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12H2,(H,19,23)(H,21,22)
InChIKeyULUHNAJSBGZFCA-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
4-(4-chloroanilino)-4-oxo-3-piperidin-1-ylbutanoic acid
CID 2957775
(3S)-3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7247950
2-morpholin-4-yl-4-oxo-N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 90677194
methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate
CID 7326369
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
N-naphthalen-2-ylmorpholin-4-amine
CID 69398473
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4832339
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The IUPAC name of 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid (CID 5000095) is 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid is O=C(O)CC(C(=O)Nc1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The InChIKey is ULUHNAJSBGZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(22)12-16(20-7-9-24-10-8-20)18(23)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12H2,(H,19,23)(H,21,22).
What are the key properties of 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 5000095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).