methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride

C8H11ClN2O2 — CID 54595785

IUPACmethyl 2-amino-2-pyridin-2-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1ccccn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;/h2-5,7H,9H2,1H3;1H
InChIKeyPCPOXRZFRXSGDS-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.68
Rot. Bonds2

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

methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride (PubChem CID 54595785) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-pyridin-2-ylacetate;hydrochloride
PubChem CID54595785
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Namemethyl 2-amino-2-pyridin-2-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1ccccn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;/h2-5,7H,9H2,1H3;1H
InChIKeyPCPOXRZFRXSGDS-UHFFFAOYSA-N
XLogP0.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-Pyridineacetic acid
CID 85318
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Ethyl difluoro(pyridin-2-yl)acetate
CID 10631894
3-Pyridin-2-ylalanine
CID 2761499
3-Pyridin-2-yl-L-alanine
CID 4210406
3-(2-Pyridyl)-D-alanine
CID 7019768
Butyl 2-(pyridin-2-yl)acetate
CID 14936493
2-(Pyridin-2-yl)propanoic acid
CID 19075788
Ethyl 2-(5-bromopyridin-2-yl)acetate
CID 46835658

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride (CID 54595785) is methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride is COC(=O)C(N)c1ccccn1.Cl.
What is the InChIKey of methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride?
The InChIKey is PCPOXRZFRXSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;/h2-5,7H,9H2,1H3;1H.
What are the key properties of methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride?
methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.68, 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;hydrochloride is sourced from PubChem (CID 54595785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).