1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid

C11H12N2O3 — CID 139670868

IUPAC1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
SMILESNC1(C(=O)O)NC(=O)CCc2ccccc21
InChIInChI=1S/C11H12N2O3/c12-11(10(15)16)8-4-2-1-3-7(8)5-6-9(14)13-11/h1-4H,5-6,12H2,(H,13,14)(H,15,16)
InChIKeyCJIQTINCSWOUAQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.05
Rot. Bonds1

About 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid

1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid (PubChem CID 139670868) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
PubChem CID139670868
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
SMILESNC1(C(=O)O)NC(=O)CCc2ccccc21
InChIInChI=1S/C11H12N2O3/c12-11(10(15)16)8-4-2-1-3-7(8)5-6-9(14)13-11/h1-4H,5-6,12H2,(H,13,14)(H,15,16)
InChIKeyCJIQTINCSWOUAQ-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-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

2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
3-(2-carbamothioyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanamide
CID 125495003
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrate
CID 91886239
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
CID 67860142

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid?
The IUPAC name of 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid (CID 139670868) is 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid?
The canonical SMILES for 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid is NC1(C(=O)O)NC(=O)CCc2ccccc21.
What is the InChIKey of 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid?
The InChIKey is CJIQTINCSWOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-11(10(15)16)8-4-2-1-3-7(8)5-6-9(14)13-11/h1-4H,5-6,12H2,(H,13,14)(H,15,16).
What are the key properties of 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid?
1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid is sourced from PubChem (CID 139670868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).