4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid

C12H22N2O5 — CID 61436289

IUPAC4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CC1CCCCO1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-14(8-9-4-2-3-7-19-9)12(18)13-10(5-6-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyPXAAQCRNKURTFM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid (PubChem CID 61436289) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
PubChem CID61436289
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CC1CCCCO1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-14(8-9-4-2-3-7-19-9)12(18)13-10(5-6-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyPXAAQCRNKURTFM-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid (CID 61436289) is 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid is CN(CC1CCCCO1)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The InChIKey is PXAAQCRNKURTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-14(8-9-4-2-3-7-19-9)12(18)13-10(5-6-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61436289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).