methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate

C14H14N2O2 — CID 102268915

IUPACmethyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
SMILESCOC(=O)[C@@H](Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13(11-7-3-2-4-8-11)16-12-9-5-6-10-15-12/h2-10,13H,1H3,(H,15,16)/t13-/m0/s1
InChIKeySXDJATITIMGMSG-ZDUSSCGKSA-N
MW242.28 g/mol
LogP2.41
Rot. Bonds4

About methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate

methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate (PubChem CID 102268915) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
PubChem CID102268915
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
SMILESCOC(=O)[C@@H](Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)13(11-7-3-2-4-8-11)16-12-9-5-6-10-15-12/h2-10,13H,1H3,(H,15,16)/t13-/m0/s1
InChIKeySXDJATITIMGMSG-ZDUSSCGKSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
CID 5003492

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate?
The IUPAC name of methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate (CID 102268915) is methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate is COC(=O)[C@@H](Nc1ccccn1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate?
The InChIKey is SXDJATITIMGMSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)13(11-7-3-2-4-8-11)16-12-9-5-6-10-15-12/h2-10,13H,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate?
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate has a molecular weight of 242.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate is sourced from PubChem (CID 102268915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).