(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid

C13H16N2O4 — CID 80751144

IUPAC(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC1CNc2ccccc21)N[C@H](CO)C(=O)O
InChIInChI=1S/C13H16N2O4/c16-7-11(13(18)19)15-12(17)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,8,11,14,16H,5-7H2,(H,15,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyTULVVTROEMNXPB-QHDYGNBISA-N
MW264.28 g/mol
LogP0.15
Rot. Bonds5

About (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80751144) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80751144
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC1CNc2ccccc21)N[C@H](CO)C(=O)O
InChIInChI=1S/C13H16N2O4/c16-7-11(13(18)19)15-12(17)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,8,11,14,16H,5-7H2,(H,15,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyTULVVTROEMNXPB-QHDYGNBISA-N
XLogP0.15
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 80751144) is (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid is O=C(CC1CNc2ccccc21)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is TULVVTROEMNXPB-QHDYGNBISA-N. The full InChI is InChI=1S/C13H16N2O4/c16-7-11(13(18)19)15-12(17)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,8,11,14,16H,5-7H2,(H,15,17)(H,18,19)/t8?,11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).