2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid

C13H17NO5 — CID 114217888

IUPAC2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
SMILESCC1CN(C(=O)c2ccoc2CC(=O)O)CCC1O
InChIInChI=1S/C13H17NO5/c1-8-7-14(4-2-10(8)15)13(18)9-3-5-19-11(9)6-12(16)17/h3,5,8,10,15H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyMPKMJCWAGGNAAY-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.75
Rot. Bonds3

About 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid

2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid (PubChem CID 114217888) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
PubChem CID114217888
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
SMILESCC1CN(C(=O)c2ccoc2CC(=O)O)CCC1O
InChIInChI=1S/C13H17NO5/c1-8-7-14(4-2-10(8)15)13(18)9-3-5-19-11(9)6-12(16)17/h3,5,8,10,15H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyMPKMJCWAGGNAAY-UHFFFAOYSA-N
XLogP0.75
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)furan-2-yl]acetic acid
CID 114217838
2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217804
2-[3-(2-methylazepane-1-carbonyl)furan-2-yl]acetic acid
CID 114217823
2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
CID 114217784
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680247
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 114678070

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid (CID 114217888) is 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid is CC1CN(C(=O)c2ccoc2CC(=O)O)CCC1O.
What is the InChIKey of 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The InChIKey is MPKMJCWAGGNAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-7-14(4-2-10(8)15)13(18)9-3-5-19-11(9)6-12(16)17/h3,5,8,10,15H,2,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).