methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate

C7H9NO3 — CID 83528987

IUPACmethyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
SMILESCOC(=O)C(O)c1ccc[nH]1
InChIInChI=1S/C7H9NO3/c1-11-7(10)6(9)5-3-2-4-8-5/h2-4,6,8-9H,1H3
InChIKeyCQXJKZWDMIUILY-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.22
Rot. Bonds2

About methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate

methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate (PubChem CID 83528987) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
PubChem CID83528987
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
SMILESCOC(=O)C(O)c1ccc[nH]1
InChIInChI=1S/C7H9NO3/c1-11-7(10)6(9)5-3-2-4-8-5/h2-4,6,8-9H,1H3
InChIKeyCQXJKZWDMIUILY-UHFFFAOYSA-N
XLogP0.22
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 171865398
1-O-methyl 3-O-propan-2-yl 2-(1H-pyrrol-2-yl)propanedioate
CID 10105075
methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
CID 116857352
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
methyl 2-[hydroxy(1H-pyrrol-2-yl)methyl]oxirane-2-carboxylate
CID 71477654
ethyl 2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 171867443
methyl 4-[1-(1H-pyrrol-2-yl)ethoxy]benzoate
CID 117053572
4-O-tert-butyl 1-O-methyl 2-(3-aminophenyl)-3-(1H-pyrrol-2-yl)butanedioate
CID 91009183
diethyl 2-[bis(1H-pyrrol-2-yl)methyl]propanedioate
CID 86039346
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate (CID 83528987) is methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate is COC(=O)C(O)c1ccc[nH]1.
What is the InChIKey of methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The InChIKey is CQXJKZWDMIUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)6(9)5-3-2-4-8-5/h2-4,6,8-9H,1H3.
What are the key properties of methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate has a molecular weight of 155.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 83528987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).