3-morpholin-4-ylpentanoic acid

C9H17NO3 — CID 57053639

IUPAC3-morpholin-4-ylpentanoic acid
SMILESCCC(CC(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-8(7-9(11)12)10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyORNGQXBOFYLBHC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 3-morpholin-4-ylpentanoic acid

3-morpholin-4-ylpentanoic acid (PubChem CID 57053639) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name3-morpholin-4-ylpentanoic acid
PubChem CID57053639
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-morpholin-4-ylpentanoic acid
SMILESCCC(CC(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-8(7-9(11)12)10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyORNGQXBOFYLBHC-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpentanoic acid?
The IUPAC name of 3-morpholin-4-ylpentanoic acid (CID 57053639) is 3-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 3-morpholin-4-ylpentanoic acid?
The canonical SMILES for 3-morpholin-4-ylpentanoic acid is CCC(CC(=O)O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpentanoic acid?
The InChIKey is ORNGQXBOFYLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(7-9(11)12)10-3-5-13-6-4-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-morpholin-4-ylpentanoic acid?
3-morpholin-4-ylpentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 57053639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).