2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid

C9H18N2O4 — CID 66175927

IUPAC2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-4-5-11(3)8(14)10-6-9(2,15)7(12)13/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyZWCBKQVSSDXSIY-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.13
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 66175927) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
PubChem CID66175927
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-4-5-11(3)8(14)10-6-9(2,15)7(12)13/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyZWCBKQVSSDXSIY-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]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-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 79386469
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid (CID 66175927) is 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid is CCCN(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZWCBKQVSSDXSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4-5-11(3)8(14)10-6-9(2,15)7(12)13/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 66175927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).