2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid

C10H18N2O3 — CID 18542461

IUPAC2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)12-3-1-2-9(12)8-11-4-6-15-7-5-11/h9H,1-8H2,(H,13,14)
InChIKeyKROVJCDQRCJGRW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.46
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid

2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid (PubChem CID 18542461) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
PubChem CID18542461
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)12-3-1-2-9(12)8-11-4-6-15-7-5-11/h9H,1-8H2,(H,13,14)
InChIKeyKROVJCDQRCJGRW-UHFFFAOYSA-N
XLogP0.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid (CID 18542461) is 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KROVJCDQRCJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-10(14)12-3-1-2-9(12)8-11-4-6-15-7-5-11/h9H,1-8H2,(H,13,14).
What are the key properties of 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 18542461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).