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

C11H20N2O4 — CID 55049718

IUPAC3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
SMILESO=C(CCC1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-7-9(11(16)17)13-10(15)2-1-8-3-5-12-6-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)
InChIKeyGMNJLSZLOORDTB-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds6

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

3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid (PubChem CID 55049718) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
PubChem CID55049718
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
SMILESO=C(CCC1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-7-9(11(16)17)13-10(15)2-1-8-3-5-12-6-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17)
InChIKeyGMNJLSZLOORDTB-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
3-(1H-imidazol-5-yl)-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 76937405
(2S)-2-(pentanoylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid
CID 15463670
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-ethyl-2-(3-piperidin-4-ylpropanoylamino)propanamide
CID 55049239
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid (CID 55049718) is 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid is O=C(CCC1CCNCC1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid?
The InChIKey is GMNJLSZLOORDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-7-9(11(16)17)13-10(15)2-1-8-3-5-12-6-4-8/h8-9,12,14H,1-7H2,(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid?
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 55049718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).