(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid

C7H9NO3 — CID 170443504

IUPAC(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1ccc[nH]1
InChIInChI=1S/C7H9NO3/c1-11-6(7(9)10)5-3-2-4-8-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1
InChIKeyHBQAFQOAZYCIFX-ZCFIWIBFSA-N
MW155.15 g/mol
LogP0.79
Rot. Bonds3

About (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid

(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 170443504) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID170443504
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1ccc[nH]1
InChIInChI=1S/C7H9NO3/c1-11-6(7(9)10)5-3-2-4-8-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1
InChIKeyHBQAFQOAZYCIFX-ZCFIWIBFSA-N
XLogP0.79
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 171865398
2-(1,1-dimethoxypropan-2-yl)-1H-pyrrole
CID 123843998
2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748073
(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
CID 170443503
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
CID 84748122
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
3-[[carboxy(1H-pyrrol-2-yl)methyl]amino]propanoic acid
CID 84748110
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
1-O-methyl 3-O-propan-2-yl 2-(1H-pyrrol-2-yl)propanedioate
CID 10105075
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid (CID 170443504) is (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid is CO[C@@H](C(=O)O)c1ccc[nH]1.
What is the InChIKey of (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is HBQAFQOAZYCIFX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-6(7(9)10)5-3-2-4-8-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid?
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 155.15 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 170443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).