3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid

C11H20N2O5 — CID 106836832

IUPAC3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCC(O)C1CCN(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-7(15)8-2-4-13(5-3-8)11(18)12-9(6-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyXEUUFJVEATVSHE-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.77
Rot. Bonds4

About 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid

3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 106836832) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID106836832
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCC(O)C1CCN(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-7(15)8-2-4-13(5-3-8)11(18)12-9(6-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyXEUUFJVEATVSHE-UHFFFAOYSA-N
XLogP-0.77
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
(2R)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80757592
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 106836851
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid (CID 106836832) is 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid is CC(O)C1CCN(C(=O)NC(CO)C(=O)O)CC1.
What is the InChIKey of 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is XEUUFJVEATVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(15)8-2-4-13(5-3-8)11(18)12-9(6-14)10(16)17/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 106836832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).