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

C17H20N2O2 — CID 106483896

IUPACbenzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCC(CNCc1ccccn1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-14(11-18-12-16-9-5-6-10-19-16)17(20)21-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyPEORPWHQBLUGMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds7

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

benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate (PubChem CID 106483896) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namebenzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
PubChem CID106483896
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namebenzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCC(CNCc1ccccn1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-14(11-18-12-16-9-5-6-10-19-16)17(20)21-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyPEORPWHQBLUGMY-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The IUPAC name of benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate (CID 106483896) is benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate.
What is the SMILES notation for benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The canonical SMILES for benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate is CC(CNCc1ccccn1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The InChIKey is PEORPWHQBLUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14(11-18-12-16-9-5-6-10-19-16)17(20)21-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3.
What are the key properties of benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate has a molecular weight of 284.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate is sourced from PubChem (CID 106483896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).