3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

C10H20N2O5 — CID 66002629

IUPAC3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(O)CN(C)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O5/c1-7(13)5-12(3)9(16)11-6-10(2,17)4-8(14)15/h7,13,17H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyJJQONIWISCFUBW-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.77
Rot. Bonds6

About 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 66002629) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID66002629
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(O)CN(C)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C10H20N2O5/c1-7(13)5-12(3)9(16)11-6-10(2,17)4-8(14)15/h7,13,17H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyJJQONIWISCFUBW-UHFFFAOYSA-N
XLogP-0.77
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic 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-hydroxy-3-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917289
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
3-hydroxy-3-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 66002435
4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002009
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001414
3-hydroxy-3-methyl-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79319597
3-hydroxy-3-methyl-4-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106038878

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (CID 66002629) is 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is CC(O)CN(C)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is JJQONIWISCFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-7(13)5-12(3)9(16)11-6-10(2,17)4-8(14)15/h7,13,17H,4-6H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 66002629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).