4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

C12H21NO4 — CID 18768953

IUPAC4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)CC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOSVYQQTVOINRC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.98
Rot. Bonds5

About 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (PubChem CID 18768953) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
PubChem CID18768953
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)CC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOSVYQQTVOINRC-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (CID 18768953) is 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is CC(C)CC(CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The InChIKey is POSVYQQTVOINRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is sourced from PubChem (CID 18768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).