methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate

C17H24FNO2 — CID 43782293

IUPACmethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FNO2/c1-11(2)10-15(17(20)21-3)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,4-5,10H2,1-3H3
InChIKeyPVNIYFGNVJILNO-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.45
Rot. Bonds7

About methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate

methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate (PubChem CID 43782293) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
PubChem CID43782293
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Namemethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FNO2/c1-11(2)10-15(17(20)21-3)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,4-5,10H2,1-3H3
InChIKeyPVNIYFGNVJILNO-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate 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-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
CID 43792190
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate (CID 43782293) is methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate?
The InChIKey is PVNIYFGNVJILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-11(2)10-15(17(20)21-3)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate?
methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate has a molecular weight of 293.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate is sourced from PubChem (CID 43782293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).