2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid

C15H18N2O2 — CID 84748785

IUPAC2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCCN(c1cccc(C)c1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-17(12-7-4-6-11(2)10-12)14(15(18)19)13-8-5-9-16-13/h4-10,14,16H,3H2,1-2H3,(H,18,19)
InChIKeyODVNVMCCQWBZBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.98
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid

2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 84748785) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID84748785
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESCCN(c1cccc(C)c1)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-17(12-7-4-6-11(2)10-12)14(15(18)19)13-8-5-9-16-13/h4-10,14,16H,3H2,1-2H3,(H,18,19)
InChIKeyODVNVMCCQWBZBM-UHFFFAOYSA-N
XLogP2.98
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.98
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
2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
CID 84751400
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
(N-ethyl-3-methylanilino)-phenylmethanesulfonic acid
CID 54298056
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
2-[N-(1-carboxyethyl)-3-methylanilino]propanoic acid
CID 18692796

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid (CID 84748785) is 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid is CCN(c1cccc(C)c1)C(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is ODVNVMCCQWBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17(12-7-4-6-11(2)10-12)14(15(18)19)13-8-5-9-16-13/h4-10,14,16H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid?
2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 84748785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).