(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid

C16H29NO4 — CID 58628214

IUPAC(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid
SMILESCC(C)CC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H29NO4/c1-12(2)10-16(3,4)11-13(15(19)20)9-14(18)17-5-7-21-8-6-17/h12-13H,5-11H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyKVKWHYBTMDZIOS-ZDUSSCGKSA-N
MW299.41 g/mol
LogP2.40
Rot. Bonds7

About (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid

(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid (PubChem CID 58628214) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid
PubChem CID58628214
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid
SMILESCC(C)CC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H29NO4/c1-12(2)10-16(3,4)11-13(15(19)20)9-14(18)17-5-7-21-8-6-17/h12-13H,5-11H2,1-4H3,(H,19,20)/t13-/m0/s1
InChIKeyKVKWHYBTMDZIOS-ZDUSSCGKSA-N
XLogP2.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid?
The IUPAC name of (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid (CID 58628214) is (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid.
What is the SMILES notation for (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid?
The canonical SMILES for (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid is CC(C)CC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid?
The InChIKey is KVKWHYBTMDZIOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(2)10-16(3,4)11-13(15(19)20)9-14(18)17-5-7-21-8-6-17/h12-13H,5-11H2,1-4H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid?
(2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid has a molecular weight of 299.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid is sourced from PubChem (CID 58628214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).