2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid

C11H17NO3 — CID 12698988

IUPAC2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid
SMILESC=C1CCCN(C(CCC)C(=O)O)C1=O
InChIInChI=1S/C11H17NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h9H,2-7H2,1H3,(H,14,15)
InChIKeyCSIPAUCDDRCJAP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds4

About 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid

2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid (PubChem CID 12698988) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid
PubChem CID12698988
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid
SMILESC=C1CCCN(C(CCC)C(=O)O)C1=O
InChIInChI=1S/C11H17NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h9H,2-7H2,1H3,(H,14,15)
InChIKeyCSIPAUCDDRCJAP-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2-oxopyrrolidin-1-yl)dodecanoic acid
CID 57060081
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
CID 12698989
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
2-[3,5-bis(1-carboxybutyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]pentanoic acid
CID 139846064
2-(3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 83040888
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid
CID 175497291
1-[2,5-dihydroxy-6-(3-methylidene-2-oxopiperidin-1-yl)hexyl]-3-methylidenepiperidin-2-one
CID 122695336
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid (CID 12698988) is 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid is C=C1CCCN(C(CCC)C(=O)O)C1=O.
What is the InChIKey of 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid?
The InChIKey is CSIPAUCDDRCJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid?
2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 12698988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).