4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

C14H24N2O5 — CID 66265733

IUPAC4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N(CCO)C1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-15(12-9-21-8-11(12)13(18)19)14(20)16(6-7-17)10-4-2-3-5-10/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyHTMYPQHMFNOYQM-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.37
Rot. Bonds5

About 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66265733) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66265733
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N(CCO)C1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-15(12-9-21-8-11(12)13(18)19)14(20)16(6-7-17)10-4-2-3-5-10/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyHTMYPQHMFNOYQM-UHFFFAOYSA-N
XLogP0.37
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)oxolane-3-carboxamide
CID 102862095
4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266524
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66265733) is 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is CN(C(=O)N(CCO)C1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is HTMYPQHMFNOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-15(12-9-21-8-11(12)13(18)19)14(20)16(6-7-17)10-4-2-3-5-10/h10-12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).