methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate

C16H22FNO2 — CID 58000258

IUPACmethyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
SMILESCOC(=O)CC(NCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C16H22FNO2/c1-20-16(19)10-15(13-4-2-3-5-13)18-11-12-6-8-14(17)9-7-12/h6-9,13,15,18H,2-5,10-11H2,1H3
InChIKeyRTGBJXIWTDDUBK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.04
Rot. Bonds6

About methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate

methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate (PubChem CID 58000258) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
PubChem CID58000258
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Namemethyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
SMILESCOC(=O)CC(NCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C16H22FNO2/c1-20-16(19)10-15(13-4-2-3-5-13)18-11-12-6-8-14(17)9-7-12/h6-9,13,15,18H,2-5,10-11H2,1H3
InChIKeyRTGBJXIWTDDUBK-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate 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

methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
ethyl 3-cyclopropyl-3-[(4-methoxyphenyl)methylamino]propanoate
CID 134161996
2,4-dimethylpentan-3-yl (3S)-3-(benzylamino)-3-cyclohexylpropanoate
CID 53234209
methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
CID 134162015
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
ethyl 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propanoate
CID 134162113
methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate
CID 175544254
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The IUPAC name of methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate (CID 58000258) is methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate is COC(=O)CC(NCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The InChIKey is RTGBJXIWTDDUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-16(19)10-15(13-4-2-3-5-13)18-11-12-6-8-14(17)9-7-12/h6-9,13,15,18H,2-5,10-11H2,1H3.
What are the key properties of methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate has a molecular weight of 279.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate is sourced from PubChem (CID 58000258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).