methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate

C14H14N2O2 — CID 138987849

IUPACmethyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
SMILESCOC(=O)C(N)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13(15)12-4-2-3-11(9-12)10-5-7-16-8-6-10/h2-9,13H,15H2,1H3
InChIKeyUCLFBOHCNPWRPP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate

methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate (PubChem CID 138987849) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
PubChem CID138987849
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
SMILESCOC(=O)C(N)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13(15)12-4-2-3-11(9-12)10-5-7-16-8-6-10/h2-9,13H,15H2,1H3
InChIKeyUCLFBOHCNPWRPP-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
(1S)-2,2,2-trifluoro-1-(3-pyridin-4-ylphenyl)ethanamine
CID 66511669
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
N,N,3-trimethyl-2-[1-(3-pyridin-4-ylphenyl)ethylamino]butanamide
CID 166223288
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate (CID 138987849) is methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate is COC(=O)C(N)c1cccc(-c2ccncc2)c1.
What is the InChIKey of methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate?
The InChIKey is UCLFBOHCNPWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)13(15)12-4-2-3-11(9-12)10-5-7-16-8-6-10/h2-9,13H,15H2,1H3.
What are the key properties of methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate?
methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate has a molecular weight of 242.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate is sourced from PubChem (CID 138987849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).