methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride

C12H13ClN2O2 — CID 171217015

IUPACmethyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H12N2O2.ClH/c1-16-12(15)11(13)9-6-7-14-10-5-3-2-4-8(9)10;/h2-7,11H,13H2,1H3;1H/t11-;/m0./s1
InChIKeyYAJQVCSYGJELEE-MERQFXBCSA-N
MW252.70 g/mol
LogP1.83
Rot. Bonds2

About methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride

methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride (PubChem CID 171217015) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
PubChem CID171217015
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Namemethyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H12N2O2.ClH/c1-16-12(15)11(13)9-6-7-14-10-5-3-2-4-8(9)10;/h2-7,11H,13H2,1H3;1H/t11-;/m0./s1
InChIKeyYAJQVCSYGJELEE-MERQFXBCSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052
2-quinolin-4-ylpropanoic acid
CID 127018626
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride (CID 171217015) is methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride is COC(=O)[C@@H](N)c1ccnc2ccccc12.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride?
The InChIKey is YAJQVCSYGJELEE-MERQFXBCSA-N. The full InChI is InChI=1S/C12H12N2O2.ClH/c1-16-12(15)11(13)9-6-7-14-10-5-3-2-4-8(9)10;/h2-7,11H,13H2,1H3;1H/t11-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride?
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride is sourced from PubChem (CID 171217015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).