2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid

C13H23NO4 — CID 2988435

IUPAC2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESCC(C)CC(CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-10(2)9-11(13(16)17)3-4-12(15)14-5-7-18-8-6-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyNCWYALANJRJTTP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.37
Rot. Bonds6

About 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid

2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid (PubChem CID 2988435) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid
PubChem CID2988435
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESCC(C)CC(CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-10(2)9-11(13(16)17)3-4-12(15)14-5-7-18-8-6-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyNCWYALANJRJTTP-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentyl}acetic acid
CID 3823452
1,2,2-Trimethyl-3-(morpholine-4-carbonyl)-cyclopentanecarboxylic acid
CID 650861
5-(2,6-Dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 6466741
3-[1-(Oxolane-2-carbonyl)piperidin-3-yl]propanoic acid
CID 61707077
3-[2,2-Difluoroethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120281643
3-Methyl-5-(4-morpholinyl)-5-oxopentanoic acid
CID 24214099
2-[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 92143799
2-Ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754488
(1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754489
2-(2-Methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754494
(1R,2S,3R)-2-(2-methylpropyl)-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 14754495
Ethyl 1-(2-hydroxyethyl)-6-oxopiperidine-3-carboxylate
CID 19607548

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The IUPAC name of 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid (CID 2988435) is 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid.
What is the SMILES notation for 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The canonical SMILES for 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid is CC(C)CC(CCC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The InChIKey is NCWYALANJRJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(2)9-11(13(16)17)3-4-12(15)14-5-7-18-8-6-14/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid?
2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-morpholin-4-yl-5-oxopentanoic acid is sourced from PubChem (CID 2988435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).