(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid

C14H25NO5 — CID 102944931

IUPAC(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCCCCN(CCO)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-8-15(9-10-16)13(17)11-6-7-12(20-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyZPNVSNLAOAELHW-NWDGAFQWSA-N
MW287.36 g/mol
LogP1.02
Rot. Bonds9

About (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944931) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944931
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCCCCCN(CCO)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-8-15(9-10-16)13(17)11-6-7-12(20-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyZPNVSNLAOAELHW-NWDGAFQWSA-N
XLogP1.02
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944931) is (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid is CCCCCCN(CCO)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is ZPNVSNLAOAELHW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25NO5/c1-2-3-4-5-8-15(9-10-16)13(17)11-6-7-12(20-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).