methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate

C16H22N2O3 — CID 103313874

IUPACmethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)14-9-8-12-6-4-5-7-13(12)17-16(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyUGLXONKMKFFMRH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate

methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate (PubChem CID 103313874) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate
PubChem CID103313874
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)14-9-8-12-6-4-5-7-13(12)17-16(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyUGLXONKMKFFMRH-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate
CID 103313878
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 100901406
3-[methyl-[3-(methylamino)propyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313816
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfonyl]propanoic acid
CID 103313634
3-(2-methylpropoxyamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313456
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propylamino]ethanethioamide
CID 103313615
3-[azetidin-3-yl(ethyl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313807
ethyl 2-amino-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetate
CID 70123988
3-[ethyl(piperidin-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313777
methyl-[1-oxo-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]butan-2-yl]carbamic acid
CID 118555701
3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313430

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate (CID 103313874) is methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)C1CCc2ccccc2NC1=O.
What is the InChIKey of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate?
The InChIKey is UGLXONKMKFFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)14-9-8-12-6-4-5-7-13(12)17-16(14)20/h4-7,11,14H,8-10H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate?
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 103313874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).