2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid

C11H17NO3 — CID 61010954

IUPAC2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid
SMILESC/C=C/C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h2,5,9H,3-4,6-8H2,1H3,(H,14,15)/b5-2+
InChIKeyVQYAMQQSYUPZAZ-GORDUTHDSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid

2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid (PubChem CID 61010954) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid
PubChem CID61010954
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid
SMILESC/C=C/C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h2,5,9H,3-4,6-8H2,1H3,(H,14,15)/b5-2+
InChIKeyVQYAMQQSYUPZAZ-GORDUTHDSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methylbut-2-enoyl)piperidin-2-yl]acetic acid
CID 61009139
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 79029166
1-(2-methylpiperidin-1-yl)but-2-en-1-one
CID 78907190
2-[1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61010254
2-[1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61009679
(2S)-1-[(E)-but-2-enoyl]pyrrolidine-2-carbaldehyde
CID 101071954
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61009540
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61010089
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
CID 61009719
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid (CID 61010954) is 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid is C/C=C/C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid?
The InChIKey is VQYAMQQSYUPZAZ-GORDUTHDSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h2,5,9H,3-4,6-8H2,1H3,(H,14,15)/b5-2+.
What are the key properties of 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid?
2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).