4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid

C16H17NO4 — CID 82347367

IUPAC4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
SMILESO=C(O)CCC(NCc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO4/c18-15(19)9-8-14(17-11-13-7-4-10-21-13)16(20)12-5-2-1-3-6-12/h1-7,10,14,17H,8-9,11H2,(H,18,19)
InChIKeyDYYSYFISZHCTLK-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.49
Rot. Bonds8

About 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid

4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid (PubChem CID 82347367) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
PubChem CID82347367
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
SMILESO=C(O)CCC(NCc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO4/c18-15(19)9-8-14(17-11-13-7-4-10-21-13)16(20)12-5-2-1-3-6-12/h1-7,10,14,17H,8-9,11H2,(H,18,19)
InChIKeyDYYSYFISZHCTLK-UHFFFAOYSA-N
XLogP2.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
N-bis(furan-2-ylmethylamino)phosphorylbenzamide
CID 86094455

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid?
The IUPAC name of 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid (CID 82347367) is 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid?
The canonical SMILES for 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid is O=C(O)CCC(NCc1ccco1)C(=O)c1ccccc1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid?
The InChIKey is DYYSYFISZHCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-15(19)9-8-14(17-11-13-7-4-10-21-13)16(20)12-5-2-1-3-6-12/h1-7,10,14,17H,8-9,11H2,(H,18,19).
What are the key properties of 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid?
4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid is sourced from PubChem (CID 82347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).