(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid

C17H17NO2 — CID 8548710

IUPAC(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12(17(19)20)18-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeySGBLIUHACLSMSV-GFCCVEGCSA-N
MW267.33 g/mol
LogP3.40
Rot. Bonds2

About (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid

(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid (PubChem CID 8548710) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
PubChem CID8548710
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12(17(19)20)18-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeySGBLIUHACLSMSV-GFCCVEGCSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
(2R)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763093
(2S)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763090
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
2-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
CID 43123754
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid?
The IUPAC name of (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid (CID 8548710) is (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid?
The canonical SMILES for (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid is C[C@H](C(=O)O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid?
The InChIKey is SGBLIUHACLSMSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(17(19)20)18-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid?
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid is sourced from PubChem (CID 8548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).