N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

C7H13NO4 — CID 18427373

IUPACN-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SMILESCCNC(=O)C1OCC(O)C1O
InChIInChI=1S/C7H13NO4/c1-2-8-7(11)6-5(10)4(9)3-12-6/h4-6,9-10H,2-3H2,1H3,(H,8,11)
InChIKeyWMSRSBQJMAMVAI-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.76
Rot. Bonds2

About N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

N-ethyl-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 18427373) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID18427373
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SMILESCCNC(=O)C1OCC(O)C1O
InChIInChI=1S/C7H13NO4/c1-2-8-7(11)6-5(10)4(9)3-12-6/h4-6,9-10H,2-3H2,1H3,(H,8,11)
InChIKeyWMSRSBQJMAMVAI-UHFFFAOYSA-N
XLogP-1.76
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of N-ethyl-3,4-dihydroxyoxolane-2-carboxamide (CID 18427373) is N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for N-ethyl-3,4-dihydroxyoxolane-2-carboxamide is CCNC(=O)C1OCC(O)C1O.
What is the InChIKey of N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is WMSRSBQJMAMVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-8-7(11)6-5(10)4(9)3-12-6/h4-6,9-10H,2-3H2,1H3,(H,8,11).
What are the key properties of N-ethyl-3,4-dihydroxyoxolane-2-carboxamide?
N-ethyl-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 175.18 g/mol, XLogP of -1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 18427373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).