methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide

C15H19N3O3 — CID 174829110

IUPACmethyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide
SMILESCOC(=O)CN.NC(=O)C1(c2ccccc2)C=CC=CN1
InChIInChI=1S/C12H12N2O.C3H7NO2/c13-11(15)12(8-4-5-9-14-12)10-6-2-1-3-7-10;1-6-3(5)2-4/h1-9,14H,(H2,13,15);2,4H2,1H3
InChIKeyNEDPDFDQBFWXDA-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.16
Rot. Bonds3

About methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide

methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide (PubChem CID 174829110) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Namemethyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide
PubChem CID174829110
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide
SMILESCOC(=O)CN.NC(=O)C1(c2ccccc2)C=CC=CN1
InChIInChI=1S/C12H12N2O.C3H7NO2/c13-11(15)12(8-4-5-9-14-12)10-6-2-1-3-7-10;1-6-3(5)2-4/h1-9,14H,(H2,13,15);2,4H2,1H3
InChIKeyNEDPDFDQBFWXDA-UHFFFAOYSA-N
XLogP0.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-anilino-1H-pyridine-2-carboxylate
CID 151544102
methyl 2-aminoacetate;bis(methyl 3-aminopropanoate);phenyl 2-aminoacetate
CID 157086326
methyl 4-[3,4-dihydroxy-2-(4-methoxy-4-oxobutyl)-1,2-diphenylcyclobutyl]butanoate
CID 134094247
potassium;hydride;methyl 2-aminoacetate
CID 175381316
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
CID 175513971
ethane-1,2-diol;methyl 2-aminoacetate
CID 122528539
methyl 2-anilinooxyacetate
CID 154072974
methyl 4-[methyl(2-phenylsulfanylpropanoyl)amino]butanoate
CID 86917250
methyl 3-anilino-4-methylpentanoate
CID 86003942
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
CID 101028218
CID 101028218
methyl (3R)-3-anilinobutanoate
CID 11333008

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide?
The IUPAC name of methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide (CID 174829110) is methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide.
What is the SMILES notation for methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide?
The canonical SMILES for methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide is COC(=O)CN.NC(=O)C1(c2ccccc2)C=CC=CN1.
What is the InChIKey of methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide?
The InChIKey is NEDPDFDQBFWXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C3H7NO2/c13-11(15)12(8-4-5-9-14-12)10-6-2-1-3-7-10;1-6-3(5)2-4/h1-9,14H,(H2,13,15);2,4H2,1H3.
What are the key properties of methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide?
methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 174829110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).