tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate

C18H22N2O2 — CID 132549421

IUPACtert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)15(13-14-9-5-4-6-10-14)20-16-11-7-8-12-19-16/h4-12,15H,13H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyNEFRDCGGYQJDQV-OAHLLOKOSA-N
MW298.39 g/mol
LogP3.45
Rot. Bonds5

About tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate

tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate (PubChem CID 132549421) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
PubChem CID132549421
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nametert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccccn1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)15(13-14-9-5-4-6-10-14)20-16-11-7-8-12-19-16/h4-12,15H,13H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyNEFRDCGGYQJDQV-OAHLLOKOSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(hydroxyamino)-3-phenylpropanoate;oxalic acid
CID 46867571
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CID 68875721
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CID 11130916
tert-butyl (2S)-3-phenyl-2-(propan-2-ylamino)propanoate;sulfane
CID 159183112
tert-butyl 3-phenyl-2-(sulfamoylamino)propanoate
CID 115756313
tert-butyl (2S)-3-phenyl-2-(prop-2-enylamino)propanoate
CID 102580746
tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
CID 174448604
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 110677846
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CID 145135005

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate?
The IUPAC name of tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate (CID 132549421) is tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate is CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1ccccn1.
What is the InChIKey of tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate?
The InChIKey is NEFRDCGGYQJDQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)15(13-14-9-5-4-6-10-14)20-16-11-7-8-12-19-16/h4-12,15H,13H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate?
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate has a molecular weight of 298.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 132549421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).