3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid

C9H16N2O5 — CID 61439141

IUPAC3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C9H16N2O5/c12-5-7(8(14)15)10-9(16)11-3-1-2-6(13)4-11/h6-7,12-13H,1-5H2,(H,10,16)(H,14,15)
InChIKeyQROBKFLCAJSXGU-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.40
Rot. Bonds3

About 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid

3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61439141) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61439141
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CO)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C9H16N2O5/c12-5-7(8(14)15)10-9(16)11-3-1-2-6(13)4-11/h6-7,12-13H,1-5H2,(H,10,16)(H,14,15)
InChIKeyQROBKFLCAJSXGU-UHFFFAOYSA-N
XLogP-1.40
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(2S)-2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61439468
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
N-(dicyclopropylmethyl)-3-hydroxypiperidine-1-carboxamide
CID 110895589
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid (CID 61439141) is 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid is O=C(O)C(CO)NC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is QROBKFLCAJSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-5-7(8(14)15)10-9(16)11-3-1-2-6(13)4-11/h6-7,12-13H,1-5H2,(H,10,16)(H,14,15).
What are the key properties of 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61439141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).