3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid

C12H22N2O4 — CID 81078722

IUPAC3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESCOCC(NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-8-10(12(16)17)14-11(15)5-4-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyQMOYZOWJNRUVEQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.02
Rot. Bonds7

About 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid

3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid (PubChem CID 81078722) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
PubChem CID81078722
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESCOCC(NC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-8-10(12(16)17)14-11(15)5-4-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyQMOYZOWJNRUVEQ-UHFFFAOYSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid (CID 81078722) is 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid is COCC(NC(=O)CCC1CCCNC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The InChIKey is QMOYZOWJNRUVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-8-10(12(16)17)14-11(15)5-4-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid?
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 81078722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).