3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid

C11H19NO3 — CID 84782858

IUPAC3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
SMILESNC1COCCC1(CC1CCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyNVOSHFNPMMUZHH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid

3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid (PubChem CID 84782858) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
PubChem CID84782858
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
SMILESNC1COCCC1(CC1CCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7,12H2,(H,13,14)
InChIKeyNVOSHFNPMMUZHH-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid?
The IUPAC name of 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid (CID 84782858) is 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid.
What is the SMILES notation for 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid?
The canonical SMILES for 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid is NC1COCCC1(CC1CCC1)C(=O)O.
What is the InChIKey of 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid?
The InChIKey is NVOSHFNPMMUZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid?
3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid is sourced from PubChem (CID 84782858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).