2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid

C17H25NO3 — CID 60998431

IUPAC2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1ccc(C(NC2CCCCC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-15-10-8-13(9-11-15)16(17(19)20)18-14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyKJVSIRAQUNWVHG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds6

About 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid

2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid (PubChem CID 60998431) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
PubChem CID60998431
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1ccc(C(NC2CCCCC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-15-10-8-13(9-11-15)16(17(19)20)18-14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyKJVSIRAQUNWVHG-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 60997329
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(cyclopropylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 54937644
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2-(cyclohexylamino)-2-(4-ethoxyphenyl)acetamide
CID 60998636
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid (CID 60998431) is 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid is CC(C)Oc1ccc(C(NC2CCCCC2)C(=O)O)cc1.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid?
The InChIKey is KJVSIRAQUNWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)21-15-10-8-13(9-11-15)16(17(19)20)18-14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid?
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 60998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).