2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid

C11H20N2O4 — CID 82727899

IUPAC2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NC1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(10(14)15)6-12-11(16)13-9-4-5-17-7(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyLGKAMNTYINXIOP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds5

About 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid

2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid (PubChem CID 82727899) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
PubChem CID82727899
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NC1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(10(14)15)6-12-11(16)13-9-4-5-17-7(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyLGKAMNTYINXIOP-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid (CID 82727899) is 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid is CCC(CNC(=O)NC1CCOC1C)C(=O)O.
What is the InChIKey of 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid?
The InChIKey is LGKAMNTYINXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(10(14)15)6-12-11(16)13-9-4-5-17-7(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid?
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]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 2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 82727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).