(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide

C15H16N4O3 — CID 167935031

IUPAC(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c16-10(14(21)18-12-6-13(20)19-15(12)22)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20,22)/t10-,12?/m0/s1
InChIKeySFYNHBRGKSVRGJ-NUHJPDEHSA-N
MW300.32 g/mol
LogP-0.43
Rot. Bonds4

About (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 167935031) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID167935031
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c16-10(14(21)18-12-6-13(20)19-15(12)22)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20,22)/t10-,12?/m0/s1
InChIKeySFYNHBRGKSVRGJ-NUHJPDEHSA-N
XLogP-0.43
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(2S)-1-[(2,5-dioxopyrrolidin-3-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 166356311
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;3-chloropyrrolidine-2,5-dione
CID 69015701
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride
CID 119957751
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 103827664
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119957877
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 119957436
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 119956668
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide (CID 167935031) is (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC(=O)NC1=O.
What is the InChIKey of (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is SFYNHBRGKSVRGJ-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-10(14(21)18-12-6-13(20)19-15(12)22)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20,22)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 300.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 167935031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).