2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid

C15H17NO4 — CID 103251231

IUPAC2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNC(CO)Cc1ccccc1
InChIInChI=1S/C15H17NO4/c17-10-12(8-11-4-2-1-3-5-11)16-9-14-13(15(18)19)6-7-20-14/h1-7,12,16-17H,8-10H2,(H,18,19)
InChIKeyPQQUKHYYTILFHO-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.67
Rot. Bonds7

About 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid

2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 103251231) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID103251231
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNC(CO)Cc1ccccc1
InChIInChI=1S/C15H17NO4/c17-10-12(8-11-4-2-1-3-5-11)16-9-14-13(15(18)19)6-7-20-14/h1-7,12,16-17H,8-10H2,(H,18,19)
InChIKeyPQQUKHYYTILFHO-UHFFFAOYSA-N
XLogP1.67
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103265787
methyl 3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]furan-2-carboxylate
CID 102673425
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257628
4-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103251242
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid (CID 103251231) is 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNC(CO)Cc1ccccc1.
What is the InChIKey of 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is PQQUKHYYTILFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-10-12(8-11-4-2-1-3-5-11)16-9-14-13(15(18)19)6-7-20-14/h1-7,12,16-17H,8-10H2,(H,18,19).
What are the key properties of 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid?
2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103251231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).