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

C10H18N2O3 — CID 11345020

IUPAC(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1CN1CCOCC1
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)/t9-/m0/s1
InChIKeyKROVJCDQRCJGRW-VIFPVBQESA-N
MW214.26 g/mol
LogP0.46
Rot. Bonds2

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

(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid (PubChem CID 11345020) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
PubChem CID11345020
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1CN1CCOCC1
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)/t9-/m0/s1
InChIKeyKROVJCDQRCJGRW-VIFPVBQESA-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 (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid (CID 11345020) is (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KROVJCDQRCJGRW-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid?
(2S)-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 (2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 11345020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).