4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid

C15H19N3O5 — CID 26833116

IUPAC4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
SMILESNC(=O)c1cc(NC(=O)CCC(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C15H19N3O5/c16-15(22)11-9-10(17-13(19)3-4-14(20)21)1-2-12(11)18-5-7-23-8-6-18/h1-2,9H,3-8H2,(H2,16,22)(H,17,19)(H,20,21)
InChIKeyZJQFMEZCGUJSBC-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.43
Rot. Bonds6

About 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid

4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid (PubChem CID 26833116) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
PubChem CID26833116
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
SMILESNC(=O)c1cc(NC(=O)CCC(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C15H19N3O5/c16-15(22)11-9-10(17-13(19)3-4-14(20)21)1-2-12(11)18-5-7-23-8-6-18/h1-2,9H,3-8H2,(H2,16,22)(H,17,19)(H,20,21)
InChIKeyZJQFMEZCGUJSBC-UHFFFAOYSA-N
XLogP0.43
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
CID 7328805
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-5-(pentanoylamino)benzoic acid
CID 50807118
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid (CID 26833116) is 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid is NC(=O)c1cc(NC(=O)CCC(=O)O)ccc1N1CCOCC1.
What is the InChIKey of 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The InChIKey is ZJQFMEZCGUJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c16-15(22)11-9-10(17-13(19)3-4-14(20)21)1-2-12(11)18-5-7-23-8-6-18/h1-2,9H,3-8H2,(H2,16,22)(H,17,19)(H,20,21).
What are the key properties of 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid?
4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid has a molecular weight of 321.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid is sourced from PubChem (CID 26833116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).