2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid

C11H11ClFNO2 — CID 114453628

IUPAC2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
SMILESO=C(O)C(NC1CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFNO2/c12-7-3-6(4-8(13)5-7)10(11(15)16)14-9-1-2-9/h3-5,9-10,14H,1-2H2,(H,15,16)
InChIKeyIBXQWEFUSAFZNO-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid

2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid (PubChem CID 114453628) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
PubChem CID114453628
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
SMILESO=C(O)C(NC1CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFNO2/c12-7-3-6(4-8(13)5-7)10(11(15)16)14-9-1-2-9/h3-5,9-10,14H,1-2H2,(H,15,16)
InChIKeyIBXQWEFUSAFZNO-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(3-chloro-5-fluorophenyl)-2-(propylamino)acetic acid
CID 114453626
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 114453653
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(2-chloroanilino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453647
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid (CID 114453628) is 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid is O=C(O)C(NC1CC1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid?
The InChIKey is IBXQWEFUSAFZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-7-3-6(4-8(13)5-7)10(11(15)16)14-9-1-2-9/h3-5,9-10,14H,1-2H2,(H,15,16).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid?
2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid has a molecular weight of 243.66 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid is sourced from PubChem (CID 114453628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).