(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid

C11H16N2O4 — CID 156867826

IUPAC(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H16N2O4/c1-2-9(14)12-6-10(15)13-5-3-4-8(7-13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m1/s1
InChIKeyNBXUROVKFDEVKW-MRVPVSSYSA-N
MW240.26 g/mol
LogP-0.39
Rot. Bonds4

About (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 156867826) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID156867826
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H16N2O4/c1-2-9(14)12-6-10(15)13-5-3-4-8(7-13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m1/s1
InChIKeyNBXUROVKFDEVKW-MRVPVSSYSA-N
XLogP-0.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Methylamino)acetyl]piperidine-3-carboxylic acid
CID 61157901
3-(2,5-Dioxopyrrol-1-yl)piperidine-3-carboxylic acid
CID 134249155
(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(prop-2-enoylamino)piperidine-3-carboxylic acid
CID 156867578
1-(2-Acetamidoacetyl)piperidine-3-carboxylic acid
CID 24710253
(3R)-1-(2-acetamidoacetyl)piperidine-3-carboxylic acid
CID 28214404
(3S)-1-(2-acetamidoacetyl)piperidine-3-carboxylic acid
CID 28214406
(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 39346558
(3S)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 39346562
1-(2-Acetamido-3-methylbutanoyl)piperidine-3-carboxylic acid
CID 43170989
1-[2-(2,2-Dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid
CID 43171038
1-(2-Acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 43355778

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid (CID 156867826) is (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid is C=CC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is NBXUROVKFDEVKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-9(14)12-6-10(15)13-5-3-4-8(7-13)11(16)17/h2,8H,1,3-7H2,(H,12,14)(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(prop-2-enoylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 156867826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).