2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

C11H20N2O5 — CID 114007247

IUPAC2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)C(O)CCNC(=O)N1CCCCC1CO
InChIInChI=1S/C11H20N2O5/c14-7-8-3-1-2-6-13(8)11(18)12-5-4-9(15)10(16)17/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17)
InChIKeyROBKYZZASZVQPS-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.62
Rot. Bonds5

About 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 114007247) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID114007247
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)C(O)CCNC(=O)N1CCCCC1CO
InChIInChI=1S/C11H20N2O5/c14-7-8-3-1-2-6-13(8)11(18)12-5-4-9(15)10(16)17/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17)
InChIKeyROBKYZZASZVQPS-UHFFFAOYSA-N
XLogP-0.62
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107841410
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007449
(2S)-2-hydroxy-4-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 107841420
4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540703
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
2-hydroxy-3-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055675
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 114007247) is 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is O=C(O)C(O)CCNC(=O)N1CCCCC1CO.
What is the InChIKey of 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is ROBKYZZASZVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c14-7-8-3-1-2-6-13(8)11(18)12-5-4-9(15)10(16)17/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17).
What are the key properties of 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114007247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).