2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid

C13H14N2O2 — CID 84748784

IUPAC2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCN(c1ccccc1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c1-15(10-6-3-2-4-7-10)12(13(16)17)11-8-5-9-14-11/h2-9,12,14H,1H3,(H,16,17)
InChIKeyOENBAWYNANKRLG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.28
Rot. Bonds4

About 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid

2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 84748784) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID84748784
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCN(c1ccccc1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c1-15(10-6-3-2-4-7-10)12(13(16)17)11-8-5-9-14-11/h2-9,12,14H,1H3,(H,16,17)
InChIKeyOENBAWYNANKRLG-UHFFFAOYSA-N
XLogP2.28
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748788
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
CID 84748122
2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748785
2-[methyl-(1-methylpiperidin-4-yl)amino]-2-(1H-pyrrol-2-yl)acetic acid
CID 84748769
2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
CID 20993991
2-(N-methylanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 84747006
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
2-(dimethylamino)-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84758225
(E)-4-(dimethylamino)-4-(1H-pyrrol-2-yl)but-2-enoic acid
CID 116910754
1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 130621343
4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
CID 82041220

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid (CID 84748784) is 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid is CN(c1ccccc1)C(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is OENBAWYNANKRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(10-6-3-2-4-7-10)12(13(16)17)11-8-5-9-14-11/h2-9,12,14H,1H3,(H,16,17).
What are the key properties of 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 84748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).