2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid

C11H22N2O5 — CID 79800977

IUPAC2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(O)COC)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-5-11(2,9(15)16)12-10(17)13(3)6-8(14)7-18-4/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyZWUOJWLVKYYWRP-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.11
Rot. Bonds7

About 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid

2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79800977) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID79800977
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(O)COC)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-5-11(2,9(15)16)12-10(17)13(3)6-8(14)7-18-4/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyZWUOJWLVKYYWRP-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid with MolForge

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 54999225
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009806

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid (CID 79800977) is 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(C)CC(O)COC)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is ZWUOJWLVKYYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-5-11(2,9(15)16)12-10(17)13(3)6-8(14)7-18-4/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).