(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine

C17H23N3O4 — CID 86738095

IUPAC(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
SMILESC1COCCN1.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O3.C4H9NO/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-3-6-4-2-5-1/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);5H,1-4H2/t12-;/m0./s1
InChIKeyGKLOENZBKFNJCC-YDALLXLXSA-N
MW333.39 g/mol
LogP0.91
Rot. Bonds4

About (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine

(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine (PubChem CID 86738095) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
PubChem CID86738095
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
SMILESC1COCCN1.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O3.C4H9NO/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-3-6-4-2-5-1/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);5H,1-4H2/t12-;/m0./s1
InChIKeyGKLOENZBKFNJCC-YDALLXLXSA-N
XLogP0.91
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine 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

3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 40552419
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 74988650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine?
The IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine (CID 86738095) is (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine.
What is the SMILES notation for (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine?
The canonical SMILES for (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine is C1COCCN1.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine?
The InChIKey is GKLOENZBKFNJCC-YDALLXLXSA-N. The full InChI is InChI=1S/C13H14N2O3.C4H9NO/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-3-6-4-2-5-1/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);5H,1-4H2/t12-;/m0./s1.
What are the key properties of (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine?
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine has a molecular weight of 333.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine is sourced from PubChem (CID 86738095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).