2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid

C15H21NO3 — CID 54892787

IUPAC2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(NC2CCCCC2)C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-9-5-6-11(10-13)14(15(17)18)16-12-7-3-2-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyHGSIMTGHXGXMSD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds5

About 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid

2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid (PubChem CID 54892787) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
PubChem CID54892787
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(NC2CCCCC2)C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-9-5-6-11(10-13)14(15(17)18)16-12-7-3-2-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyHGSIMTGHXGXMSD-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314327
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60998431

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid (CID 54892787) is 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(NC2CCCCC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid?
The InChIKey is HGSIMTGHXGXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-9-5-6-11(10-13)14(15(17)18)16-12-7-3-2-4-8-12/h5-6,9-10,12,14,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid?
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 54892787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).