3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid

C11H19NO5 — CID 103153048

IUPAC3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)C1COC(C)C1)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-7-3-8(6-17-7)11(15)12-5-9(16-2)4-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYEHNNXUDWVKXBQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.02
Rot. Bonds6

About 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid

3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid (PubChem CID 103153048) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
PubChem CID103153048
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)C1COC(C)C1)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-7-3-8(6-17-7)11(15)12-5-9(16-2)4-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYEHNNXUDWVKXBQ-UHFFFAOYSA-N
XLogP0.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
3-methoxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152990
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid (CID 103153048) is 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid is COC(CNC(=O)C1COC(C)C1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
The InChIKey is YEHNNXUDWVKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7-3-8(6-17-7)11(15)12-5-9(16-2)4-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid?
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103153048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).