5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid

C16H17NO4 — CID 60708135

IUPAC5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H17NO4/c18-14(9-4-10-15(19)20)17-16(13-8-5-11-21-13)12-6-2-1-3-7-12/h1-3,5-8,11,16H,4,9-10H2,(H,17,18)(H,19,20)
InChIKeyGKIYYWCQSGKNRC-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.74
Rot. Bonds7

About 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid

5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid (PubChem CID 60708135) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
PubChem CID60708135
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H17NO4/c18-14(9-4-10-15(19)20)17-16(13-8-5-11-21-13)12-6-2-1-3-7-12/h1-3,5-8,11,16H,4,9-10H2,(H,17,18)(H,19,20)
InChIKeyGKIYYWCQSGKNRC-UHFFFAOYSA-N
XLogP2.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
CID 60780335
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
5-[[(S)-furan-2-yl(phenyl)methyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 94553211
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[furan-2-yl(phenyl)methyl]butanamide
CID 134029343
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
CID 55759778
N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891

Frequently Asked Questions

What is the IUPAC name of 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid (CID 60708135) is 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid?
The InChIKey is GKIYYWCQSGKNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-14(9-4-10-15(19)20)17-16(13-8-5-11-21-13)12-6-2-1-3-7-12/h1-3,5-8,11,16H,4,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid?
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 60708135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).