3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid

C11H19NO3 — CID 82719422

IUPAC3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(NC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-11(10(13)14,6-7-15-8)12-9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCPBFMLYJDVQYDP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.15
Rot. Bonds3

About 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid

3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid (PubChem CID 82719422) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
PubChem CID82719422
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(NC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-11(10(13)14,6-7-15-8)12-9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCPBFMLYJDVQYDP-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid (CID 82719422) is 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid is CC1OCCC1(NC1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid?
The InChIKey is CPBFMLYJDVQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-11(10(13)14,6-7-15-8)12-9-4-2-3-5-9/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid?
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 82719422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).