methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride

C8H12Cl2N2O2 — CID 75530577

IUPACmethyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride
SMILESCOC(=O)C(N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;;/h2-5,7H,9H2,1H3;2*1H
InChIKeyYEDLXAKJINMFAC-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride

methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride (PubChem CID 75530577) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride
PubChem CID75530577
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Namemethyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride
SMILESCOC(=O)C(N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;;/h2-5,7H,9H2,1H3;2*1H
InChIKeyYEDLXAKJINMFAC-UHFFFAOYSA-N
XLogP1.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride?
The IUPAC name of methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride (CID 75530577) is methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride.
What is the SMILES notation for methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride?
The canonical SMILES for methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride is COC(=O)C(N)c1ccccn1.Cl.Cl.
What is the InChIKey of methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride?
The InChIKey is YEDLXAKJINMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;;/h2-5,7H,9H2,1H3;2*1H.
What are the key properties of methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride?
methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride is sourced from PubChem (CID 75530577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).