5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid

C16H22N2O3 — CID 62942189

IUPAC5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
SMILESCC(CC(=O)O)CC(N)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-10(8-16(20)21)7-13(17)11-5-6-14-12(9-11)3-2-4-15(19)18-14/h5-6,9-10,13H,2-4,7-8,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyAOQPUQZVHCAKJW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.46
Rot. Bonds5

About 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid

5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid (PubChem CID 62942189) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
PubChem CID62942189
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
SMILESCC(CC(=O)O)CC(N)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-10(8-16(20)21)7-13(17)11-5-6-14-12(9-11)3-2-4-15(19)18-14/h5-6,9-10,13H,2-4,7-8,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyAOQPUQZVHCAKJW-UHFFFAOYSA-N
XLogP2.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103556136
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid?
The IUPAC name of 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid (CID 62942189) is 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid.
What is the SMILES notation for 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid?
The canonical SMILES for 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid is CC(CC(=O)O)CC(N)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid?
The InChIKey is AOQPUQZVHCAKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(8-16(20)21)7-13(17)11-5-6-14-12(9-11)3-2-4-15(19)18-14/h5-6,9-10,13H,2-4,7-8,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid?
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid is sourced from PubChem (CID 62942189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).