2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid

C12H22N2O5 — CID 106108800

IUPAC2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
SMILESCOC(CNC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-10(12(16)17)8-14-11(15)4-7-19-9-2-5-13-6-3-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyVSNZHJLAWUUWCT-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.64
Rot. Bonds8

About 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid

2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid (PubChem CID 106108800) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
PubChem CID106108800
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
SMILESCOC(CNC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-10(12(16)17)8-14-11(15)4-7-19-9-2-5-13-6-3-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyVSNZHJLAWUUWCT-UHFFFAOYSA-N
XLogP-0.64
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
N-(2-hydroxy-4-methylpentyl)-3-piperidin-4-yloxypropanamide
CID 103920724
3-piperidin-4-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103920690
N-(2-ethylhexyl)-3-piperidin-4-yloxypropanamide
CID 63904485
N-[2-(2-hydroxyethyl)pentyl]-3-piperidin-4-yloxypropanamide
CID 106116784
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
3-piperidin-4-yloxy-N-(2-piperidin-1-ylpropyl)propanamide
CID 63877201
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid (CID 106108800) is 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid is COC(CNC(=O)CCOC1CCNCC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid?
The InChIKey is VSNZHJLAWUUWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-10(12(16)17)8-14-11(15)4-7-19-9-2-5-13-6-3-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid?
2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid is sourced from PubChem (CID 106108800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).