3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid

C15H18N2O4 — CID 123578433

IUPAC3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid
SMILESCOC(=O)CCNC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-21-14(18)6-7-16-13(15(19)20)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,16-17H,6-8H2,1H3,(H,19,20)
InChIKeyAXXVBPQCXOHMCR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.32
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid

3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid (PubChem CID 123578433) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid
PubChem CID123578433
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid
SMILESCOC(=O)CCNC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-21-14(18)6-7-16-13(15(19)20)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,16-17H,6-8H2,1H3,(H,19,20)
InChIKeyAXXVBPQCXOHMCR-UHFFFAOYSA-N
XLogP1.32
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid 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

2-(2-aminoethylamino)-3-(1H-indol-3-yl)propanoic acid
CID 75310465
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
2-[2-(benzenesulfonyl)ethylamino]-3-(1H-indol-3-yl)propanoic acid
CID 139660536
(2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoic acid
CID 51997757
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid
CID 23179336
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
2-(2,3-dihydroxypropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 23088944
(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxyamino]propanoic acid
CID 129192457

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid (CID 123578433) is 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid is COC(=O)CCNC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid?
The InChIKey is AXXVBPQCXOHMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-14(18)6-7-16-13(15(19)20)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,16-17H,6-8H2,1H3,(H,19,20).
What are the key properties of 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid?
3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 123578433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).