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

C14H16N2O2 — CID 84748788

IUPAC2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCCN(c1ccccc1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-16(11-7-4-3-5-8-11)13(14(17)18)12-9-6-10-15-12/h3-10,13,15H,2H2,1H3,(H,17,18)
InChIKeyOXYPCTUZQJTYDA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.67
Rot. Bonds5

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

2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 84748788) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID84748788
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCCN(c1ccccc1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-16(11-7-4-3-5-8-11)13(14(17)18)12-9-6-10-15-12/h3-10,13,15H,2H2,1H3,(H,17,18)
InChIKeyOXYPCTUZQJTYDA-UHFFFAOYSA-N
XLogP2.67
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748785
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
CID 84748122
2-[methyl-(1-methylpiperidin-4-yl)amino]-2-(1H-pyrrol-2-yl)acetic acid
CID 84748769
1,1-bis(1H-pyrrol-2-yl)butan-2-one
CID 56629782
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748073
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 116907990
2-(1-phenylbutan-2-yl)-1H-pyrrole
CID 57270402
(1S)-1-(1H-pyrrol-2-yl)propan-1-ol
CID 78962664

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid (CID 84748788) is 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid is CCN(c1ccccc1)C(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is OXYPCTUZQJTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16(11-7-4-3-5-8-11)13(14(17)18)12-9-6-10-15-12/h3-10,13,15H,2H2,1H3,(H,17,18).
What are the key properties of 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 84748788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).