4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid

C12H20N2O5 — CID 112626971

IUPAC4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)9-2-3-13(6-9)12(18)14-4-5-19-7-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeyFUKICRWKWPFIMA-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.41
Rot. Bonds2

About 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid

4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid (PubChem CID 112626971) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
PubChem CID112626971
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-8(15)9-2-3-13(6-9)12(18)14-4-5-19-7-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)
InChIKeyFUKICRWKWPFIMA-UHFFFAOYSA-N
XLogP-0.41
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid (CID 112626971) is 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid is CC(O)C1CCN(C(=O)N2CCOCC2C(=O)O)C1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is FUKICRWKWPFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(15)9-2-3-13(6-9)12(18)14-4-5-19-7-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid?
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 112626971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).