2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid

C13H16FNO2 — CID 65059821

IUPAC2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
SMILESCc1cc(F)ccc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-8-6-11(14)5-4-10(8)7-15-12(13(16)17)9-2-3-9/h4-6,9,12,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyMBDPTALNOJAVGY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.09
Rot. Bonds5

About 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid

2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid (PubChem CID 65059821) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
PubChem CID65059821
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
SMILESCc1cc(F)ccc1CNC(C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO2/c1-8-6-11(14)5-4-10(8)7-15-12(13(16)17)9-2-3-9/h4-6,9,12,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyMBDPTALNOJAVGY-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
2-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]-2-(oxan-4-yl)acetic acid
CID 167932367
2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid
CID 103258667
2-[(4-bromo-3-methylphenyl)methylamino]-2-cyclopropylacetic acid
CID 66479518
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
CID 63792258
2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid (CID 65059821) is 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid is Cc1cc(F)ccc1CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid?
The InChIKey is MBDPTALNOJAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-6-11(14)5-4-10(8)7-15-12(13(16)17)9-2-3-9/h4-6,9,12,15H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid?
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid is sourced from PubChem (CID 65059821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).