4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C10H20N2O4 — CID 175236529

IUPAC4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CCO)C(=O)NCC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,6-8(14)15)7-11-9(16)12(3)4-5-13/h13H,4-7H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyAGZVHCLYVUMSOP-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.12
Rot. Bonds6

About 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 175236529) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID175236529
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CCO)C(=O)NCC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,6-8(14)15)7-11-9(16)12(3)4-5-13/h13H,4-7H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyAGZVHCLYVUMSOP-UHFFFAOYSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carboxyamino)-3,3-dimethylbutanoic acid
CID 122599753
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
CID 60960998
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324
4-[[[2-hydroxyethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 61204270
1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea
CID 108865976
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 175236529) is 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CN(CCO)C(=O)NCC(C)(C)CC(=O)O.
What is the InChIKey of 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is AGZVHCLYVUMSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,6-8(14)15)7-11-9(16)12(3)4-5-13/h13H,4-7H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 175236529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).