3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid

C11H18N2O3 — CID 93342073

IUPAC3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid
SMILESC=C[C@H]1CN(C(N)=O)CC[C@H]1CCC(=O)O
InChIInChI=1S/C11H18N2O3/c1-2-8-7-13(11(12)16)6-5-9(8)3-4-10(14)15/h2,8-9H,1,3-7H2,(H2,12,16)(H,14,15)/t8-,9+/m0/s1
InChIKeyAOZPKCUDUPOSOK-DTWKUNHWSA-N
MW226.28 g/mol
LogP1.05
Rot. Bonds4

About 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid

3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid (PubChem CID 93342073) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid
PubChem CID93342073
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid
SMILESC=C[C@H]1CN(C(N)=O)CC[C@H]1CCC(=O)O
InChIInChI=1S/C11H18N2O3/c1-2-8-7-13(11(12)16)6-5-9(8)3-4-10(14)15/h2,8-9H,1,3-7H2,(H2,12,16)(H,14,15)/t8-,9+/m0/s1
InChIKeyAOZPKCUDUPOSOK-DTWKUNHWSA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Vinyl-4-piperidinyl)propanoic acid
CID 24973475
3-(3-Ethenyl-1-pentylpiperidin-4-yl)propanoic acid
CID 68148628
3-Ethenyl-4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylic acid
CID 68720357
1-[Hex-5-enyl(methyl)carbamoyl]-4-propan-2-ylpiperidine-2-carboxylic acid
CID 90788436
3-(1-Carbamoyl-3-ethenylpiperidin-4-yl)propanoic acid
CID 44721203
3-[1-(Cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62209949
3-[1-(Prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216190
3-[1-[Bis(prop-2-enyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62216358
2-[1-(Cyclohex-3-en-1-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62676289
3-(1-Pent-4-enoylpiperidin-4-yl)propanoic acid
CID 62679282
3-(1-But-3-enoylpiperidin-4-yl)propanoic acid
CID 62679484
2-(1-Pent-4-enoylpiperidin-3-yl)acetic acid
CID 62679876

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid?
The IUPAC name of 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid (CID 93342073) is 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid is C=C[C@H]1CN(C(N)=O)CC[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid?
The InChIKey is AOZPKCUDUPOSOK-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-8-7-13(11(12)16)6-5-9(8)3-4-10(14)15/h2,8-9H,1,3-7H2,(H2,12,16)(H,14,15)/t8-,9+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid?
3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid is sourced from PubChem (CID 93342073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).