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

C10H18N2O5 — CID 61439608

IUPAC4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C10H18N2O5/c13-5-3-8(9(15)16)11-10(17)12-4-1-2-7(14)6-12/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16)
InChIKeySFBKPEJDDFRKDB-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.01
Rot. Bonds4

About 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid

4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 61439608) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
PubChem CID61439608
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C10H18N2O5/c13-5-3-8(9(15)16)11-10(17)12-4-1-2-7(14)6-12/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16)
InChIKeySFBKPEJDDFRKDB-UHFFFAOYSA-N
XLogP-1.01
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2S)-2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61439468
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-4-hydroxybutanoic acid
CID 63154911
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107828179
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid (CID 61439608) is 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid is O=C(O)C(CCO)NC(=O)N1CCCC(O)C1.
What is the InChIKey of 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is SFBKPEJDDFRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c13-5-3-8(9(15)16)11-10(17)12-4-1-2-7(14)6-12/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16).
What are the key properties of 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61439608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).