7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid

C15H19N3O4 — CID 130202850

IUPAC7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid
SMILESCOc1cc(N2CCN(C(=O)O)C3(CC3)C2)ccc1C(N)=O
InChIInChI=1S/C15H19N3O4/c1-22-12-8-10(2-3-11(12)13(16)19)17-6-7-18(14(20)21)15(9-17)4-5-15/h2-3,8H,4-7,9H2,1H3,(H2,16,19)(H,20,21)
InChIKeyAJJMEQBTSZIEDW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.13
Rot. Bonds3

About 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid

7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid (PubChem CID 130202850) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

Molecular Properties

Compound Name7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid
PubChem CID130202850
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid
SMILESCOc1cc(N2CCN(C(=O)O)C3(CC3)C2)ccc1C(N)=O
InChIInChI=1S/C15H19N3O4/c1-22-12-8-10(2-3-11(12)13(16)19)17-6-7-18(14(20)21)15(9-17)4-5-15/h2-3,8H,4-7,9H2,1H3,(H2,16,19)(H,20,21)
InChIKeyAJJMEQBTSZIEDW-UHFFFAOYSA-N
XLogP1.13
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 118618240
1-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013232
4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid
CID 107209629
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
1-(3-methoxy-4-nitrophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63670398
1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165768
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 81274508
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The IUPAC name of 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid (CID 130202850) is 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid.
What is the SMILES notation for 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The canonical SMILES for 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid is COc1cc(N2CCN(C(=O)O)C3(CC3)C2)ccc1C(N)=O.
What is the InChIKey of 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The InChIKey is AJJMEQBTSZIEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-12-8-10(2-3-11(12)13(16)19)17-6-7-18(14(20)21)15(9-17)4-5-15/h2-3,8H,4-7,9H2,1H3,(H2,16,19)(H,20,21).
What are the key properties of 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid is sourced from PubChem (CID 130202850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).