(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid

C7H9NO3 — CID 170443503

IUPAC(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1cc[nH]c1
InChIInChI=1S/C7H9NO3/c1-11-6(7(9)10)5-2-3-8-4-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1
InChIKeyPJNNHWGDGAATFB-ZCFIWIBFSA-N
MW155.15 g/mol
LogP0.79
Rot. Bonds3

About (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid

(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid (PubChem CID 170443503) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
PubChem CID170443503
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1cc[nH]c1
InChIInChI=1S/C7H9NO3/c1-11-6(7(9)10)5-2-3-8-4-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1
InChIKeyPJNNHWGDGAATFB-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

(2S)-2-[[(2S)-3,3-dimethyl-2-propan-2-yloxybutanoyl]oxymethoxy]-2-(1H-pyrrol-3-yl)acetic acid
CID 170444434
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
CID 14212860
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
methoxy(1H-pyrrol-3-yl)methanamine
CID 116947286
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid?
The IUPAC name of (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid (CID 170443503) is (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid?
The canonical SMILES for (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid is CO[C@@H](C(=O)O)c1cc[nH]c1.
What is the InChIKey of (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid?
The InChIKey is PJNNHWGDGAATFB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-6(7(9)10)5-2-3-8-4-5/h2-4,6,8H,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid?
(2R)-2-methoxy-2-(1H-pyrrol-3-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-3-yl)acetic acid is sourced from PubChem (CID 170443503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).