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

C12H21N3O5 — CID 66175944

IUPAC2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-12(20,10(17)18)7-14-11(19)15-6-4-3-5-8(15)9(16)13-2/h8,20H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKDFFTBOYOZIQJJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.87
Rot. Bonds4

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

2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 66175944) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID66175944
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-12(20,10(17)18)7-14-11(19)15-6-4-3-5-8(15)9(16)13-2/h8,20H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyKDFFTBOYOZIQJJ-UHFFFAOYSA-N
XLogP-0.87
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic 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

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
CID 60948393
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
4-methyl-5-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 82014862
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 113364443
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001227
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid (CID 66175944) is 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid is CNC(=O)C1CCCCN1C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is KDFFTBOYOZIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-12(20,10(17)18)7-14-11(19)15-6-4-3-5-8(15)9(16)13-2/h8,20H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 66175944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).