3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid

C11H20N2O4 — CID 3352161

IUPAC3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
SMILESCC(C)C(NC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-6-8-4-3-5-17-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQAXMDSODKYUYCP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds5

About 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid

3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid (PubChem CID 3352161) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
PubChem CID3352161
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
SMILESCC(C)C(NC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-6-8-4-3-5-17-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQAXMDSODKYUYCP-UHFFFAOYSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 55013928
3-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]butanoic acid
CID 65159095
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 111470902
3-methyl-2-(oxolan-2-ylmethoxycarbonylamino)butanoic acid
CID 18917778
4-amino-4-oxo-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191612
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid (CID 3352161) is 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid is CC(C)C(NC(=O)NCC1CCCO1)C(=O)O.
What is the InChIKey of 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is QAXMDSODKYUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-6-8-4-3-5-17-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 3352161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).