methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate

C16H18N2O2 — CID 139997097

IUPACmethyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCOC(=O)CC(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-16(19)11-15(13-7-3-2-4-8-13)18-12-14-9-5-6-10-17-14/h2-10,15,18H,11-12H2,1H3
InChIKeyPZXHOBGWKROACO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.48
Rot. Bonds6

About methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate

methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate (PubChem CID 139997097) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
PubChem CID139997097
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCOC(=O)CC(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-20-16(19)11-15(13-7-3-2-4-8-13)18-12-14-9-5-6-10-17-14/h2-10,15,18H,11-12H2,1H3
InChIKeyPZXHOBGWKROACO-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
CID 83320549
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate?
The IUPAC name of methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate (CID 139997097) is methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate is COC(=O)CC(NCc1ccccn1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate?
The InChIKey is PZXHOBGWKROACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-16(19)11-15(13-7-3-2-4-8-13)18-12-14-9-5-6-10-17-14/h2-10,15,18H,11-12H2,1H3.
What are the key properties of methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate?
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate has a molecular weight of 270.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate is sourced from PubChem (CID 139997097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).