(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid

C15H18N2O4 — CID 29126918

IUPAC(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
SMILESCOc1cccc2c([C@@H](C(=O)O)N3CCOCC3)c[nH]c12
InChIInChI=1S/C15H18N2O4/c1-20-12-4-2-3-10-11(9-16-13(10)12)14(15(18)19)17-5-7-21-8-6-17/h2-4,9,14,16H,5-8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyJLTIQLSUTDLZKO-AWEZNQCLSA-N
MW290.32 g/mol
LogP1.63
Rot. Bonds4

About (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid

(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid (PubChem CID 29126918) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
PubChem CID29126918
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
SMILESCOc1cccc2c([C@@H](C(=O)O)N3CCOCC3)c[nH]c12
InChIInChI=1S/C15H18N2O4/c1-20-12-4-2-3-10-11(9-16-13(10)12)14(15(18)19)17-5-7-21-8-6-17/h2-4,9,14,16H,5-8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyJLTIQLSUTDLZKO-AWEZNQCLSA-N
XLogP1.63
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 42652964
(2R)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29136541
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 29137217
(2S)-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 29140317
2-(7-methoxy-1H-indol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 42651675
(2R)-2-[4-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperazin-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 39308962
(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126778
(2R)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29131719
5-(7-methoxy-1H-indol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110289
(2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetic acid
CID 29140768
(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93125176
2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid
CID 72940551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid (CID 29126918) is (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid is COc1cccc2c([C@@H](C(=O)O)N3CCOCC3)c[nH]c12.
What is the InChIKey of (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is JLTIQLSUTDLZKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-12-4-2-3-10-11(9-16-13(10)12)14(15(18)19)17-5-7-21-8-6-17/h2-4,9,14,16H,5-8H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 29126918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).