4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid

C10H13NO4 — CID 43535656

IUPAC4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(NC(=O)CCC(=O)O)c1ccco1
InChIInChI=1S/C10H13NO4/c1-7(8-3-2-6-15-8)11-9(12)4-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOHWSVPBJNOPYPP-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.32
Rot. Bonds5

About 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid

4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 43535656) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
PubChem CID43535656
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(NC(=O)CCC(=O)O)c1ccco1
InChIInChI=1S/C10H13NO4/c1-7(8-3-2-6-15-8)11-9(12)4-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOHWSVPBJNOPYPP-UHFFFAOYSA-N
XLogP1.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid (CID 43535656) is 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid is CC(NC(=O)CCC(=O)O)c1ccco1.
What is the InChIKey of 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is OHWSVPBJNOPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(8-3-2-6-15-8)11-9(12)4-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid?
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).