(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide

C17H24N2O — CID 63683495

IUPAC(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C17H24N2O/c18-16(10-12-4-2-1-3-5-12)17(20)19-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11,18H2,(H,19,20)/t13?,14?,15?,16-/m1/s1
InChIKeyWPNAEHGLPLUZJU-LGGPCSOHSA-N
MW272.39 g/mol
LogP2.11
Rot. Bonds5

About (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide (PubChem CID 63683495) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
PubChem CID63683495
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C17H24N2O/c18-16(10-12-4-2-1-3-5-12)17(20)19-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11,18H2,(H,19,20)/t13?,14?,15?,16-/m1/s1
InChIKeyWPNAEHGLPLUZJU-LGGPCSOHSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950772
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide (CID 63683495) is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide?
The InChIKey is WPNAEHGLPLUZJU-LGGPCSOHSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16(10-12-4-2-1-3-5-12)17(20)19-11-15-9-13-6-7-14(15)8-13/h1-5,13-16H,6-11,18H2,(H,19,20)/t13?,14?,15?,16-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide?
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 63683495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).