ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate

C14H16N2O2 — CID 34177500

IUPACethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
SMILESCCOC(=O)C[C@H](N)c1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)8-12(15)11-7-10-5-3-4-6-13(10)16-9-11/h3-7,9,12H,2,8,15H2,1H3/t12-/m0/s1
InChIKeyLHXLIPYYKOVEJT-LBPRGKRZSA-N
MW244.29 g/mol
LogP2.19
Rot. Bonds4

About ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate

ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate (PubChem CID 34177500) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
PubChem CID34177500
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
SMILESCCOC(=O)C[C@H](N)c1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)8-12(15)11-7-10-5-3-4-6-13(10)16-9-11/h3-7,9,12H,2,8,15H2,1H3/t12-/m0/s1
InChIKeyLHXLIPYYKOVEJT-LBPRGKRZSA-N
XLogP2.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
2-quinolin-3-ylbutanamide
CID 154121490
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
2-ethoxy-1-quinolin-3-ylbutan-1-amine
CID 116716202
1-quinolin-3-ylbutan-1-ol
CID 60924193
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate?
The IUPAC name of ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate (CID 34177500) is ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate is CCOC(=O)C[C@H](N)c1cnc2ccccc2c1.
What is the InChIKey of ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate?
The InChIKey is LHXLIPYYKOVEJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)8-12(15)11-7-10-5-3-4-6-13(10)16-9-11/h3-7,9,12H,2,8,15H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate?
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate is sourced from PubChem (CID 34177500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).