2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid

C14H17F2NO3 — CID 84746728

IUPAC2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
SMILESO=C(O)C(NC1CCC(O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO3/c15-11-6-1-8(7-12(11)16)13(14(19)20)17-9-2-4-10(18)5-3-9/h1,6-7,9-10,13,17-18H,2-5H2,(H,19,20)
InChIKeyFSAMTRUUTYPHSD-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.98
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid

2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid (PubChem CID 84746728) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
PubChem CID84746728
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
SMILESO=C(O)C(NC1CCC(O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO3/c15-11-6-1-8(7-12(11)16)13(14(19)20)17-9-2-4-10(18)5-3-9/h1,6-7,9-10,13,17-18H,2-5H2,(H,19,20)
InChIKeyFSAMTRUUTYPHSD-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
CID 114453628
2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746691
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid (CID 84746728) is 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid is O=C(O)C(NC1CCC(O)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid?
The InChIKey is FSAMTRUUTYPHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-11-6-1-8(7-12(11)16)13(14(19)20)17-9-2-4-10(18)5-3-9/h1,6-7,9-10,13,17-18H,2-5H2,(H,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid?
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid has a molecular weight of 285.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid is sourced from PubChem (CID 84746728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).