(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

C13H23NO4 — CID 15975488

IUPAC(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-13(2,3)9-10(12(16)17)8-11(15)14-4-6-18-7-5-14/h10H,4-9H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyISDMJFQHOVNMES-JTQLQIEISA-N
MW257.33 g/mol
LogP1.37
Rot. Bonds4

About (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (PubChem CID 15975488) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
PubChem CID15975488
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-13(2,3)9-10(12(16)17)8-11(15)14-4-6-18-7-5-14/h10H,4-9H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyISDMJFQHOVNMES-JTQLQIEISA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 2474331
1-Carbomethoxy-3-ethyl-3-(13-carboxyethyl)-piperidine
CID 129652972
4-Propyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 103205970
2-Methyl-2-[1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidin-3-yl]propanoic acid
CID 103932930
1-[2-[2,2-Difluoroethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120485179
3,5-Dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid
CID 154746410
2,2-Dimethyl-3-(morpholin-4-ylcarbonyl)-cyclopropanecarboxylic acid
CID 25219931
4-(4-Ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 3612040
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
3-(2-Ethoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 17851627
4,4-Dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid
CID 18768923

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The IUPAC name of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (CID 15975488) is (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.
What is the SMILES notation for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The canonical SMILES for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is CC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The InChIKey is ISDMJFQHOVNMES-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)9-10(12(16)17)8-11(15)14-4-6-18-7-5-14/h10H,4-9H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is sourced from PubChem (CID 15975488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).