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

C12H22N2O5 — CID 63977875

IUPAC4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCOCC1CCN(C(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C12H22N2O5/c1-19-8-9-2-5-14(6-3-9)12(18)13-10(4-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyOMXRMELMFYWRPB-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds6

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

4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 63977875) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID63977875
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCOCC1CCN(C(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C12H22N2O5/c1-19-8-9-2-5-14(6-3-9)12(18)13-10(4-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyOMXRMELMFYWRPB-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 63977875) is 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid is COCC1CCN(C(=O)NC(CCO)C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is OMXRMELMFYWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-19-8-9-2-5-14(6-3-9)12(18)13-10(4-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid?
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 63977875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).