2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid

C13H16N2O2 — CID 115038877

IUPAC2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC1=NCCCC1
InChIInChI=1S/C13H16N2O2/c16-13(17)9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)(H,16,17)
InChIKeyYFRPFRNCHINRJA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.31
Rot. Bonds3

About 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid

2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid (PubChem CID 115038877) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
PubChem CID115038877
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC1=NCCCC1
InChIInChI=1S/C13H16N2O2/c16-13(17)9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)(H,16,17)
InChIKeyYFRPFRNCHINRJA-UHFFFAOYSA-N
XLogP2.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 102905003
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724141
N-[2-(difluoromethylsulfanyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508321
1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759555
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid;hydrochloride
CID 171336518
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
CID 115018233
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
CID 79504547
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid (CID 115038877) is 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC1=NCCCC1.
What is the InChIKey of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid?
The InChIKey is YFRPFRNCHINRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid?
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid is sourced from PubChem (CID 115038877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).