2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid

C10H18N2O4 — CID 66235466

IUPAC2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-3-8(10(14)15)12(2)9(13)6-4-16-5-7(6)11/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyMFRDFJXNBWCRGU-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds4

About 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid

2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid (PubChem CID 66235466) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
PubChem CID66235466
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-3-8(10(14)15)12(2)9(13)6-4-16-5-7(6)11/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyMFRDFJXNBWCRGU-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid (CID 66235466) is 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)C1COCC1N.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The InChIKey is MFRDFJXNBWCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-8(10(14)15)12(2)9(13)6-4-16-5-7(6)11/h6-8H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 66235466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).