4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid

C11H19NO4 — CID 79750382

IUPAC4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCC1OCCC1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8-9(5-7-16-8)11(15)12(2)6-3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySSSCOGUILYJSBK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds5

About 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid

4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid (PubChem CID 79750382) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
PubChem CID79750382
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCC1OCCC1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-8-9(5-7-16-8)11(15)12(2)6-3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySSSCOGUILYJSBK-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
CID 79763533
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66236255
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid (CID 79750382) is 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid is CC1OCCC1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid?
The InChIKey is SSSCOGUILYJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-9(5-7-16-8)11(15)12(2)6-3-4-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid?
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79750382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).