2-(furan-3-ylamino)butanoic acid

C8H11NO3 — CID 68798095

IUPAC2-(furan-3-ylamino)butanoic acid
SMILESCCC(Nc1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7(8(10)11)9-6-3-4-12-5-6/h3-5,7,9H,2H2,1H3,(H,10,11)
InChIKeyJYUOMXVCWOUESS-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.55
Rot. Bonds4

About 2-(furan-3-ylamino)butanoic acid

2-(furan-3-ylamino)butanoic acid (PubChem CID 68798095) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(furan-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(furan-3-ylamino)butanoic acid
PubChem CID68798095
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(furan-3-ylamino)butanoic acid
SMILESCCC(Nc1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7(8(10)11)9-6-3-4-12-5-6/h3-5,7,9H,2H2,1H3,(H,10,11)
InChIKeyJYUOMXVCWOUESS-UHFFFAOYSA-N
XLogP1.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
N-(furan-3-yl)pent-4-enamide
CID 11105709
ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
CID 135076654
[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate
CID 42625748
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylamino)butanoic acid?
The IUPAC name of 2-(furan-3-ylamino)butanoic acid (CID 68798095) is 2-(furan-3-ylamino)butanoic acid.
What is the SMILES notation for 2-(furan-3-ylamino)butanoic acid?
The canonical SMILES for 2-(furan-3-ylamino)butanoic acid is CCC(Nc1ccoc1)C(=O)O.
What is the InChIKey of 2-(furan-3-ylamino)butanoic acid?
The InChIKey is JYUOMXVCWOUESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-7(8(10)11)9-6-3-4-12-5-6/h3-5,7,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-(furan-3-ylamino)butanoic acid?
2-(furan-3-ylamino)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylamino)butanoic acid is sourced from PubChem (CID 68798095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).