methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate

C14H16N2O2 — CID 61141163

IUPACmethyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18-2)15-9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1
InChIKeyYMIDKASQMOAECV-JTQLQIEISA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds4

About methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate

methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate (PubChem CID 61141163) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
PubChem CID61141163
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18-2)15-9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1
InChIKeyYMIDKASQMOAECV-JTQLQIEISA-N
XLogP1.89
TPSA51.22 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
ethane;methyl 2-(benzylamino)propanoate
CID 91349755

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate?
The IUPAC name of methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate (CID 61141163) is methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate is COC(=O)[C@H](C)NCc1ccc2ccccc2n1.
What is the InChIKey of methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate?
The InChIKey is YMIDKASQMOAECV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(14(17)18-2)15-9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate?
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate has a molecular weight of 244.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate is sourced from PubChem (CID 61141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).