(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide

C16H22N2O — CID 78995761

IUPAC(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C16H22N2O/c17-14(9-11-4-2-1-3-5-11)16(19)18-15-10-12-6-7-13(15)8-12/h1-5,12-15H,6-10,17H2,(H,18,19)/t12?,13?,14-,15?/m0/s1
InChIKeyBWEDWGIHWLNPHU-YFXXHVASSA-N
MW258.36 g/mol
LogP1.86
Rot. Bonds4

About (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide (PubChem CID 78995761) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
PubChem CID78995761
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C16H22N2O/c17-14(9-11-4-2-1-3-5-11)16(19)18-15-10-12-6-7-13(15)8-12/h1-5,12-15H,6-10,17H2,(H,18,19)/t12?,13?,14-,15?/m0/s1
InChIKeyBWEDWGIHWLNPHU-YFXXHVASSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
CID 119335197
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide (CID 78995761) is (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CC2CCC1C2.
What is the InChIKey of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide?
The InChIKey is BWEDWGIHWLNPHU-YFXXHVASSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14(9-11-4-2-1-3-5-11)16(19)18-15-10-12-6-7-13(15)8-12/h1-5,12-15H,6-10,17H2,(H,18,19)/t12?,13?,14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide is sourced from PubChem (CID 78995761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).