(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

C17H22N4O2 — CID 119956280

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C17H22N4O2/c18-14(9-12-10-19-15-6-2-1-5-13(12)15)17(23)20-11-16(22)21-7-3-4-8-21/h1-2,5-6,10,14,19H,3-4,7-9,11,18H2,(H,20,23)/t14-/m0/s1
InChIKeyUTKFWYRQFHOTBU-AWEZNQCLSA-N
MW314.39 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 119956280) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID119956280
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C17H22N4O2/c18-14(9-12-10-19-15-6-2-1-5-13(12)15)17(23)20-11-16(22)21-7-3-4-8-21/h1-2,5-6,10,14,19H,3-4,7-9,11,18H2,(H,20,23)/t14-/m0/s1
InChIKeyUTKFWYRQFHOTBU-AWEZNQCLSA-N
XLogP0.78
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide
CID 104910969
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 19944990
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (CID 119956280) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is UTKFWYRQFHOTBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-14(9-12-10-19-15-6-2-1-5-13(12)15)17(23)20-11-16(22)21-7-3-4-8-21/h1-2,5-6,10,14,19H,3-4,7-9,11,18H2,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 119956280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).