(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide

C17H17N3O — CID 61250453

IUPAC(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O/c18-15(10-12-4-2-1-3-5-12)17(21)20-14-6-7-16-13(11-14)8-9-19-16/h1-9,11,15,19H,10,18H2,(H,20,21)/t15-/m0/s1
InChIKeyCOBRASPVCDRZTR-HNNXBMFYSA-N
MW279.34 g/mol
LogP2.68
Rot. Bonds4

About (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide

(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide (PubChem CID 61250453) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
PubChem CID61250453
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O/c18-15(10-12-4-2-1-3-5-12)17(21)20-14-6-7-16-13(11-14)8-9-19-16/h1-9,11,15,19H,10,18H2,(H,20,21)/t15-/m0/s1
InChIKeyCOBRASPVCDRZTR-HNNXBMFYSA-N
XLogP2.68
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
5-[(2-amino-3-phenylpropanoyl)amino]-1H-indole-2-carboxylic acid
CID 174951191
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992
2-amino-N-(1H-indol-5-yl)hexanamide
CID 61248761
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[1-(1H-indol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605520
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide (CID 61250453) is (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide?
The InChIKey is COBRASPVCDRZTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15(10-12-4-2-1-3-5-12)17(21)20-14-6-7-16-13(11-14)8-9-19-16/h1-9,11,15,19H,10,18H2,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 61250453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).