5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid

C12H17NO4 — CID 55155984

IUPAC5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCc1ccco1
InChIInChI=1S/C12H17NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyNQEKNKNOWHTUAN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.44
Rot. Bonds7

About 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid

5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 55155984) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
PubChem CID55155984
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCc1ccco1
InChIInChI=1S/C12H17NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyNQEKNKNOWHTUAN-UHFFFAOYSA-N
XLogP1.44
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 71257877
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid (CID 55155984) is 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCc1ccco1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is NQEKNKNOWHTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid?
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55155984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).