3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid

C11H20N2O5 — CID 55013928

IUPAC3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)13-11(17)12-6-8-4-2-3-5-18-8/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyLUNJFRRQEPMOES-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.31
Rot. Bonds5

About 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid

3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid (PubChem CID 55013928) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
PubChem CID55013928
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)13-11(17)12-6-8-4-2-3-5-18-8/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyLUNJFRRQEPMOES-UHFFFAOYSA-N
XLogP-0.31
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
4-methylsulfanyl-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 54940444
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
3-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]butanoic acid
CID 65159095
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 111470902
4-amino-4-oxo-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191612
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
CID 95352951
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid (CID 55013928) is 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid is CC(O)C(NC(=O)NCC1CCCCO1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is LUNJFRRQEPMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(14)9(10(15)16)13-11(17)12-6-8-4-2-3-5-18-8/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid?
3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 55013928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).