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

C13H23NO4 — CID 11391238

IUPAC(2S)-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-/m1/s1
InChIKeyISDMJFQHOVNMES-SNVBAGLBSA-N
MW257.33 g/mol
LogP1.37
Rot. Bonds4

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

(2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (PubChem CID 11391238) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
PubChem CID11391238
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2S)-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-/m1/s1
InChIKeyISDMJFQHOVNMES-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The IUPAC name of (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (CID 11391238) is (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.
What is the SMILES notation for (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The canonical SMILES for (2S)-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 (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The InChIKey is ISDMJFQHOVNMES-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
(2S)-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 (2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is sourced from PubChem (CID 11391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).