methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate

C17H18N2O3 — CID 99826011

IUPACmethyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)[C@@](C)(CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-17(16(21)22-2,14-8-4-3-5-9-14)12-19-15(20)13-7-6-10-18-11-13/h3-11H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyMTRZWJGUKPGEHE-KRWDZBQOSA-N
MW298.34 g/mol
LogP1.94
Rot. Bonds5

About methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate

methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate (PubChem CID 99826011) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
PubChem CID99826011
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)[C@@](C)(CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-17(16(21)22-2,14-8-4-3-5-9-14)12-19-15(20)13-7-6-10-18-11-13/h3-11H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyMTRZWJGUKPGEHE-KRWDZBQOSA-N
XLogP1.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N-[2-[[N'-methyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111948431
N-benzylpyridine-3-carboxamide chloride
CID 21204170
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
methyl 2-methyl-2-phenylbutanoate
CID 562613
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
methyl (2S)-2-methyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenylpropanoate
CID 100676193

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate (CID 99826011) is methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate is COC(=O)[C@@](C)(CNC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate?
The InChIKey is MTRZWJGUKPGEHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(16(21)22-2,14-8-4-3-5-9-14)12-19-15(20)13-7-6-10-18-11-13/h3-11H,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate?
methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate has a molecular weight of 298.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 99826011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).