2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid

C12H22N2O4 — CID 114006841

IUPAC2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
SMILESO=C(CCC1CCNCC1)NCCC(O)C(=O)O
InChIInChI=1S/C12H22N2O4/c15-10(12(17)18)5-8-14-11(16)2-1-9-3-6-13-7-4-9/h9-10,13,15H,1-8H2,(H,14,16)(H,17,18)
InChIKeyIWYLUCZPRDZQSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.28
Rot. Bonds7

About 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid

2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid (PubChem CID 114006841) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
PubChem CID114006841
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
SMILESO=C(CCC1CCNCC1)NCCC(O)C(=O)O
InChIInChI=1S/C12H22N2O4/c15-10(12(17)18)5-8-14-11(16)2-1-9-3-6-13-7-4-9/h9-10,13,15H,1-8H2,(H,14,16)(H,17,18)
InChIKeyIWYLUCZPRDZQSM-UHFFFAOYSA-N
XLogP-0.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
CID 114006236
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
N-(3-hydroxy-4-methoxybutyl)-3-piperidin-4-ylpropanamide
CID 106247359
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
CID 83109441
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 113343484
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid (CID 114006841) is 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid is O=C(CCC1CCNCC1)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid?
The InChIKey is IWYLUCZPRDZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c15-10(12(17)18)5-8-14-11(16)2-1-9-3-6-13-7-4-9/h9-10,13,15H,1-8H2,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid?
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid is sourced from PubChem (CID 114006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).