3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid

C15H17NO3 — CID 81399651

IUPAC3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11(14-8-5-9-19-14)16-10-13(15(17)18)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H,17,18)/t11-,13?/m1/s1
InChIKeySTTOUMQUZSVRMT-JTDNENJMSA-N
MW259.31 g/mol
LogP2.80
Rot. Bonds6

About 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid

3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid (PubChem CID 81399651) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
PubChem CID81399651
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11(14-8-5-9-19-14)16-10-13(15(17)18)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H,17,18)/t11-,13?/m1/s1
InChIKeySTTOUMQUZSVRMT-JTDNENJMSA-N
XLogP2.80
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
benzyl 3-[1-(furan-2-yl)ethylamino]-2-methylpropanoate
CID 106483934
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid (CID 81399651) is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid is C[C@@H](NCC(C(=O)O)c1ccccc1)c1ccco1.
What is the InChIKey of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid?
The InChIKey is STTOUMQUZSVRMT-JTDNENJMSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(14-8-5-9-19-14)16-10-13(15(17)18)12-6-3-2-4-7-12/h2-9,11,13,16H,10H2,1H3,(H,17,18)/t11-,13?/m1/s1.
What are the key properties of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid?
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 81399651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).