2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane

C14H20N2O3 — CID 145142398

IUPAC2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.COc1cccc2c(CC(N)C(=O)O)c[nH]c12
InChIInChI=1S/C12H14N2O3.C2H6/c1-17-10-4-2-3-8-7(6-14-11(8)10)5-9(13)12(15)16;1-2/h2-4,6,9,14H,5,13H2,1H3,(H,15,16);1-2H3
InChIKeyUMWMHKCSRLXEOV-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane

2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane (PubChem CID 145142398) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
PubChem CID145142398
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.COc1cccc2c(CC(N)C(=O)O)c[nH]c12
InChIInChI=1S/C12H14N2O3.C2H6/c1-17-10-4-2-3-8-7(6-14-11(8)10)5-9(13)12(15)16;1-2/h2-4,6,9,14H,5,13H2,1H3,(H,15,16);1-2H3
InChIKeyUMWMHKCSRLXEOV-UHFFFAOYSA-N
XLogP2.16
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142322
(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
(2S)-2-amino-3-[7-(3-methoxyphenyl)-1H-indol-3-yl]propanoic acid
CID 162462308
2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic acid
CID 82383509
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
(2S)-1-(7-methoxy-1H-indol-3-yl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 177080560
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146
(2S)-2-amino-3-(7-prop-2-enyl-1H-indol-3-yl)propanoic acid
CID 138470175
(2S)-2-amino-3-(7-phenanthren-4-yl-1H-indol-3-yl)propanoic acid
CID 162462330
(2S)-2-amino-3-[7-(1-methylpyrazol-3-yl)-1H-indol-3-yl]propanoic acid
CID 172529051
2-(7-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847883

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane (CID 145142398) is 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane is CC.COc1cccc2c(CC(N)C(=O)O)c[nH]c12.
What is the InChIKey of 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane?
The InChIKey is UMWMHKCSRLXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C2H6/c1-17-10-4-2-3-8-7(6-14-11(8)10)5-9(13)12(15)16;1-2/h2-4,6,9,14H,5,13H2,1H3,(H,15,16);1-2H3.
What are the key properties of 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane?
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane has a molecular weight of 264.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 145142398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).