(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

C11H20N2O5 — CID 107826333

IUPAC(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O5/c14-5-3-9(10(16)17)12-11(18)13-4-1-2-8(6-13)7-15/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17)/t8?,9-/m1/s1
InChIKeyOATMLYWSBAVHEY-YGPZHTELSA-N
MW260.29 g/mol
LogP-0.76
Rot. Bonds5

About (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 107826333) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID107826333
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O5/c14-5-3-9(10(16)17)12-11(18)13-4-1-2-8(6-13)7-15/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17)/t8?,9-/m1/s1
InChIKeyOATMLYWSBAVHEY-YGPZHTELSA-N
XLogP-0.76
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 ≤ 5-0.76
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
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
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
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927647
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 107826333) is (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is O=C(O)[C@@H](CCO)NC(=O)N1CCCC(CO)C1.
What is the InChIKey of (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is OATMLYWSBAVHEY-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20N2O5/c14-5-3-9(10(16)17)12-11(18)13-4-1-2-8(6-13)7-15/h8-9,14-15H,1-7H2,(H,12,18)(H,16,17)/t8?,9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107826333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).