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

C12H22N2O5 — CID 102962820

IUPAC4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CN(C(=O)NC(CCO)C(=O)O)CCC1C
InChIInChI=1S/C12H22N2O5/c1-8-3-5-14(7-10(8)19-2)12(18)13-9(4-6-15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYPKDTBPEMMXRES-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds5

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

4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 102962820) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID102962820
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1CN(C(=O)NC(CCO)C(=O)O)CCC1C
InChIInChI=1S/C12H22N2O5/c1-8-3-5-14(7-10(8)19-2)12(18)13-9(4-6-15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyYPKDTBPEMMXRES-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 102962820) is 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid is COC1CN(C(=O)NC(CCO)C(=O)O)CCC1C.
What is the InChIKey of 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is YPKDTBPEMMXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8-3-5-14(7-10(8)19-2)12(18)13-9(4-6-15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102962820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).