2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid

C13H17NO4 — CID 62689560

IUPAC2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(CC(=O)O)C2)o1
InChIInChI=1S/C13H17NO4/c1-9-4-5-11(18-9)13(17)14-6-2-3-10(8-14)7-12(15)16/h4-5,10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyKGFXUTPZAVORKI-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.91
Rot. Bonds3

About 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62689560) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62689560
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(CC(=O)O)C2)o1
InChIInChI=1S/C13H17NO4/c1-9-4-5-11(18-9)13(17)14-6-2-3-10(8-14)7-12(15)16/h4-5,10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyKGFXUTPZAVORKI-UHFFFAOYSA-N
XLogP1.91
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-methylfuran-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605801
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114801301
2-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 81450618
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 97318596
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid (CID 62689560) is 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid is Cc1ccc(C(=O)N2CCCC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is KGFXUTPZAVORKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-4-5-11(18-9)13(17)14-6-2-3-10(8-14)7-12(15)16/h4-5,10H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).