ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate

C17H24N2O2 — CID 63906631

IUPACethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-2-21-16(20)17(18,15-7-8-15)12-19-10-9-13-5-3-4-6-14(13)11-19/h3-6,15H,2,7-12,18H2,1H3
InChIKeyZNZSQEQYYVUQCE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate (PubChem CID 63906631) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
PubChem CID63906631
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-2-21-16(20)17(18,15-7-8-15)12-19-10-9-13-5-3-4-6-14(13)11-19/h3-6,15H,2,7-12,18H2,1H3
InChIKeyZNZSQEQYYVUQCE-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxylate
CID 3049465
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
CID 63907673
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 109000030
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
ethyl 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-cyclopropylpropanoate
CID 102728050
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate
CID 63921669

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate (CID 63906631) is ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate is CCOC(=O)C(N)(CN1CCc2ccccc2C1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The InChIKey is ZNZSQEQYYVUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-16(20)17(18,15-7-8-15)12-19-10-9-13-5-3-4-6-14(13)11-19/h3-6,15H,2,7-12,18H2,1H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate has a molecular weight of 288.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate is sourced from PubChem (CID 63906631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).