2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid

C10H15NO3 — CID 94539592

IUPAC2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid
SMILESC=CC(=O)N1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-9(12)11-5-3-4-8(7-11)6-10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1
InChIKeyKHOLKKBBHYAMQW-MRVPVSSYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds3

About 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid

2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid (PubChem CID 94539592) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid
PubChem CID94539592
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid
SMILESC=CC(=O)N1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-9(12)11-5-3-4-8(7-11)6-10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1
InChIKeyKHOLKKBBHYAMQW-MRVPVSSYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid (CID 94539592) is 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid is C=CC(=O)N1CCC[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid?
The InChIKey is KHOLKKBBHYAMQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-9(12)11-5-3-4-8(7-11)6-10(13)14/h2,8H,1,3-7H2,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid?
2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-prop-2-enoylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 94539592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).