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

C11H20N2O5 — CID 106588055

IUPAC3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOCC1CCCN(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-18-7-8-3-2-4-13(5-8)11(17)12-9(6-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyKDFYRSYVUOUSEB-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.50
Rot. Bonds5

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

3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 106588055) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID106588055
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOCC1CCCN(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-18-7-8-3-2-4-13(5-8)11(17)12-9(6-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyKDFYRSYVUOUSEB-UHFFFAOYSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305241
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid (CID 106588055) is 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid is COCC1CCCN(C(=O)NC(CO)C(=O)O)C1.
What is the InChIKey of 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is KDFYRSYVUOUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-18-7-8-3-2-4-13(5-8)11(17)12-9(6-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 106588055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).