2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid

C16H22FNO3 — CID 60998426

IUPAC2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)(NC2CCCCC2)C(=O)O)cc1F
InChIInChI=1S/C16H22FNO3/c1-16(15(19)20,18-12-6-4-3-5-7-12)11-8-9-14(21-2)13(17)10-11/h8-10,12,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyMEOJCGXUPGZOAO-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.06
Rot. Bonds5

About 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid

2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid (PubChem CID 60998426) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
PubChem CID60998426
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)(NC2CCCCC2)C(=O)O)cc1F
InChIInChI=1S/C16H22FNO3/c1-16(15(19)20,18-12-6-4-3-5-7-12)11-8-9-14(21-2)13(17)10-11/h8-10,12,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyMEOJCGXUPGZOAO-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
2-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 61057480
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid (CID 60998426) is 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid is COc1ccc(C(C)(NC2CCCCC2)C(=O)O)cc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The InChIKey is MEOJCGXUPGZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(15(19)20,18-12-6-4-3-5-7-12)11-8-9-14(21-2)13(17)10-11/h8-10,12,18H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid has a molecular weight of 295.35 g/mol, XLogP of 3.06, 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-fluoro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 60998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).