methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate

C15H16FNO3 — CID 43723505

IUPACmethyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO3/c1-10(15(18)19-2)17-9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyGSSHHSPMVZETQC-JTQLQIEISA-N
MW277.30 g/mol
LogP2.74
Rot. Bonds5

About methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate

methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate (PubChem CID 43723505) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
PubChem CID43723505
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Namemethyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H16FNO3/c1-10(15(18)19-2)17-9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyGSSHHSPMVZETQC-JTQLQIEISA-N
XLogP2.74
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]propanoate
CID 43786733
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
CID 167910575
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
CID 3646174
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate?
The IUPAC name of methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate (CID 43723505) is methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate is COC(=O)[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate?
The InChIKey is GSSHHSPMVZETQC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10(15(18)19-2)17-9-13-7-8-14(20-13)11-3-5-12(16)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate?
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate has a molecular weight of 277.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate is sourced from PubChem (CID 43723505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).