methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate

C18H18N2O3 — CID 97260167

IUPACmethyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)16(13-8-5-9-19-11-13)20-17(21)15-10-14(15)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3,(H,20,21)/t14-,15+,16-/m1/s1
InChIKeyUZTIGUXZIJAGAV-OWCLPIDISA-N
MW310.35 g/mol
LogP2.22
Rot. Bonds5

About methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate

methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate (PubChem CID 97260167) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
PubChem CID97260167
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccnc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)16(13-8-5-9-19-11-13)20-17(21)15-10-14(15)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3,(H,20,21)/t14-,15+,16-/m1/s1
InChIKeyUZTIGUXZIJAGAV-OWCLPIDISA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate with MolForge

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Related Compounds

2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
CID 95782138
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
methyl 2-[[(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-2-pyridin-3-ylacetate
CID 167521642
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124840237
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate?
The IUPAC name of methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate (CID 97260167) is methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate is COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccnc1.
What is the InChIKey of methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate?
The InChIKey is UZTIGUXZIJAGAV-OWCLPIDISA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)16(13-8-5-9-19-11-13)20-17(21)15-10-14(15)12-6-3-2-4-7-12/h2-9,11,14-16H,10H2,1H3,(H,20,21)/t14-,15+,16-/m1/s1.
What are the key properties of methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate?
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate has a molecular weight of 310.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate is sourced from PubChem (CID 97260167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).