2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid

C16H19NO3 — CID 65055569

IUPAC2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
SMILESCCCC(NC(c1ccccc1)c1ccco1)C(=O)O
InChIInChI=1S/C16H19NO3/c1-2-7-13(16(18)19)17-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15,17H,2,7H2,1H3,(H,18,19)
InChIKeyOJDDZRAJJQDSJA-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.21
Rot. Bonds7

About 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid

2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid (PubChem CID 65055569) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
PubChem CID65055569
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
SMILESCCCC(NC(c1ccccc1)c1ccco1)C(=O)O
InChIInChI=1S/C16H19NO3/c1-2-7-13(16(18)19)17-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15,17H,2,7H2,1H3,(H,18,19)
InChIKeyOJDDZRAJJQDSJA-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzhydrylamino)pentanoic acid
CID 65055273
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
CID 82312104
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid?
The IUPAC name of 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid (CID 65055569) is 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid?
The canonical SMILES for 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid is CCCC(NC(c1ccccc1)c1ccco1)C(=O)O.
What is the InChIKey of 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid?
The InChIKey is OJDDZRAJJQDSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-7-13(16(18)19)17-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15,17H,2,7H2,1H3,(H,18,19).
What are the key properties of 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid?
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid is sourced from PubChem (CID 65055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).