4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid

C11H20N2O4 — CID 113280677

IUPAC4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-13(6-2-3-9(14)15)10(16)11(12)4-7-17-8-5-11/h2-8,12H2,1H3,(H,14,15)
InChIKeyRMSADZPWLXCXCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds5

About 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid

4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid (PubChem CID 113280677) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
PubChem CID113280677
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-13(6-2-3-9(14)15)10(16)11(12)4-7-17-8-5-11/h2-8,12H2,1H3,(H,14,15)
InChIKeyRMSADZPWLXCXCJ-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
1-amino-N-[3-(dimethylamino)propyl]-N-methylcyclopropane-1-carboxamide
CID 65458413
4-[[1-(aminomethyl)cyclopentanecarbonyl]-methylamino]butanoic acid
CID 115435126
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
CID 81172837
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
CID 79858879
1-amino-N-[2-(dimethylamino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65458412
4-amino-N-methoxy-N-methyloxane-4-carboxamide
CID 115294673

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid (CID 113280677) is 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is RMSADZPWLXCXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-13(6-2-3-9(14)15)10(16)11(12)4-7-17-8-5-11/h2-8,12H2,1H3,(H,14,15).
What are the key properties of 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid?
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 113280677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).