2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid

C14H17NO4 — CID 115072156

IUPAC2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C
InChIInChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18)
InChIKeyAHEFCVRIJXIJAQ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid

2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid (PubChem CID 115072156) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
PubChem CID115072156
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C
InChIInChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18)
InChIKeyAHEFCVRIJXIJAQ-UHFFFAOYSA-N
XLogP2.35
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-(5-methoxy-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 83860149
3-(6-methoxy-1-propan-2-ylindol-2-yl)-2-methylpropanoic acid
CID 117122967
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
CID 115072151

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid (CID 115072156) is 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid is COc1ccc2c(c1)cc(C(O)C(=O)O)n2C(C)C.
What is the InChIKey of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
The InChIKey is AHEFCVRIJXIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)15-11-5-4-10(19-3)6-9(11)7-12(15)13(16)14(17)18/h4-8,13,16H,1-3H3,(H,17,18).
What are the key properties of 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid?
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid is sourced from PubChem (CID 115072156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).