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

C12H22N2O5 — CID 107841554

IUPAC2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1(C)CCCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-12(19-2)5-3-7-14(8-12)11(18)13-6-4-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCNROEUWOLASEDE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds5

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

2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107841554) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107841554
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCOC1(C)CCCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-12(19-2)5-3-7-14(8-12)11(18)13-6-4-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCNROEUWOLASEDE-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-[(3-methoxy-3-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

2-Hydroxy-4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840298
(2S)-2-hydroxy-4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840299
1-(3-Fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
CID 114284609
4-[[(3-Ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 88302213
4-[[(2-Carboxy-2-hydroxyethyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 88302273
Methyl 4-hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 90059364
Methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
4-[(3-Propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989721
4-[(3-Ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989921
4-(4-Methylpentylcarbamoyl)morpholine-2-carboxylic acid
CID 55133531
4-[(2,2,6-Trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61959626
4-[(4-Ethoxy-4-oxobutyl)carbamoyl]morpholine-2-carboxylic acid
CID 64575471

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 107841554) is 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is COC1(C)CCCN(C(=O)NCCC(O)C(=O)O)C1.
What is the InChIKey of 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is CNROEUWOLASEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(19-2)5-3-7-14(8-12)11(18)13-6-4-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107841554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).