2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid

C15H17NO4 — CID 69496605

IUPAC2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(Nc1ccco1)C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-15(14(18)19,16-13-4-3-9-20-13)10-11-5-7-12(17)8-6-11/h3-9,16-17H,2,10H2,1H3,(H,18,19)
InChIKeyHCSUTTAEZJHLMW-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.87
Rot. Bonds6

About 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid

2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid (PubChem CID 69496605) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
PubChem CID69496605
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(Nc1ccco1)C(=O)O
InChIInChI=1S/C15H17NO4/c1-2-15(14(18)19,16-13-4-3-9-20-13)10-11-5-7-12(17)8-6-11/h3-9,16-17H,2,10H2,1H3,(H,18,19)
InChIKeyHCSUTTAEZJHLMW-UHFFFAOYSA-N
XLogP2.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-hydroxyphenyl)methyl]-2-(pentan-2-ylamino)butanoic acid
CID 69495925
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(3-phenylpropanoylamino)butanoic acid
CID 68843476
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 68846027
2-(1,3-benzodioxole-5-carbonylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495896
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
2-ethyl-2-[3-(furan-2-yl)propanoylamino]butanoic acid
CID 79807068
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
(2S)-2-[(3-chloro-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 68842847
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid (CID 69496605) is 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid is CCC(Cc1ccc(O)cc1)(Nc1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The InChIKey is HCSUTTAEZJHLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-15(14(18)19,16-13-4-3-9-20-13)10-11-5-7-12(17)8-6-11/h3-9,16-17H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 69496605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).