4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide

C9H18N2O4 — CID 66237461

IUPAC4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O4/c10-8-6-15-5-7(8)9(14)11(1-3-12)2-4-13/h7-8,12-13H,1-6,10H2
InChIKeyZFEQNLLLQKQISQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-2.23
Rot. Bonds5

About 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide

4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide (PubChem CID 66237461) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
PubChem CID66237461
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O4/c10-8-6-15-5-7(8)9(14)11(1-3-12)2-4-13/h7-8,12-13H,1-6,10H2
InChIKeyZFEQNLLLQKQISQ-UHFFFAOYSA-N
XLogP-2.23
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide (CID 66237461) is 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide is NC1COCC1C(=O)N(CCO)CCO.
What is the InChIKey of 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide?
The InChIKey is ZFEQNLLLQKQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-8-6-15-5-7(8)9(14)11(1-3-12)2-4-13/h7-8,12-13H,1-6,10H2.
What are the key properties of 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide?
4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide has a molecular weight of 218.25 g/mol, XLogP of -2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66237461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).