2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid

C12H14FNO2 — CID 103266614

IUPAC2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
SMILESCc1cccc(F)c1NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyNWZWBSCMNNRBDB-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.41
Rot. Bonds4

About 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid

2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid (PubChem CID 103266614) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
PubChem CID103266614
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
SMILESCc1cccc(F)c1NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16)
InChIKeyNWZWBSCMNNRBDB-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
CID 103256046
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
CID 62697316
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
2-(3-fluoroanilino)-2-(oxan-4-yl)acetic acid
CID 62384897
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid (CID 103266614) is 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid is Cc1cccc(F)c1NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid?
The InChIKey is NWZWBSCMNNRBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7-3-2-4-9(13)10(7)14-11(12(15)16)8-5-6-8/h2-4,8,11,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid?
2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid has a molecular weight of 223.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid is sourced from PubChem (CID 103266614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).