2-(morpholin-4-ylmethyl)butanoic acid

C9H17NO3 — CID 22910333

IUPAC2-(morpholin-4-ylmethyl)butanoic acid
SMILESCCC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPEGLRXRNFUMUFH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)butanoic acid

2-(morpholin-4-ylmethyl)butanoic acid (PubChem CID 22910333) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)butanoic acid
PubChem CID22910333
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(morpholin-4-ylmethyl)butanoic acid
SMILESCCC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPEGLRXRNFUMUFH-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
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)butanoic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)butanoic acid (CID 22910333) is 2-(morpholin-4-ylmethyl)butanoic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)butanoic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)butanoic acid is CCC(CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)butanoic acid?
The InChIKey is PEGLRXRNFUMUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(morpholin-4-ylmethyl)butanoic acid?
2-(morpholin-4-ylmethyl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)butanoic acid is sourced from PubChem (CID 22910333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).