4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid

C14H24N2O5 — CID 114950868

IUPAC4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-15(9-14(20)5-3-4-6-14)13(19)16(2)11-8-21-7-10(11)12(17)18/h10-11,20H,3-9H2,1-2H3,(H,17,18)
InChIKeyBKNSQNIYYVMYEI-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.37
Rot. Bonds4

About 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 114950868) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID114950868
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-15(9-14(20)5-3-4-6-14)13(19)16(2)11-8-21-7-10(11)12(17)18/h10-11,20H,3-9H2,1-2H3,(H,17,18)
InChIKeyBKNSQNIYYVMYEI-UHFFFAOYSA-N
XLogP0.37
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 114950868) is 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid is CN(CC1(O)CCCC1)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is BKNSQNIYYVMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-15(9-14(20)5-3-4-6-14)13(19)16(2)11-8-21-7-10(11)12(17)18/h10-11,20H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114950868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).