2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid

C15H21NO2 — CID 65059121

IUPAC2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C2CCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16(10-15(17)18)14-8-5-12(2)9-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyHWQQGYDTBZEUAG-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid

2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid (PubChem CID 65059121) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
PubChem CID65059121
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C2CCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16(10-15(17)18)14-8-5-12(2)9-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyHWQQGYDTBZEUAG-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
3-(N-(3,5-dimethylcyclohexyl)-4-methylanilino)propanoic acid
CID 64728856
2-(N-(1,5-dimethylpyrrolidin-3-yl)-4-methylanilino)acetic acid
CID 81467547
2-(4-chloro-N-(3,4-dimethylcyclohexyl)anilino)acetic acid
CID 64739402
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
2-(4-methyl-N-(2,4,4-trimethylcyclohexyl)anilino)acetic acid
CID 81305522
3-(4-methyl-N-(2-methylcyclopentyl)anilino)propanoic acid
CID 65059645
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
3-(N-(1-ethylpiperidin-4-yl)-4-methylanilino)propanoic acid
CID 65059499
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
2-(4-chloro-N-(3-propan-2-ylcyclohexyl)anilino)acetic acid
CID 107450463

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid (CID 65059121) is 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C2CCC(C)C2)cc1.
What is the InChIKey of 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid?
The InChIKey is HWQQGYDTBZEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16(10-15(17)18)14-8-5-12(2)9-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid?
2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid is sourced from PubChem (CID 65059121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).