(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid

C10H19NO3 — CID 23519315

IUPAC(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)6-9(12)8(11-3)4-5-10(13)14/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyAFXQHCOLDYSCQV-QMMMGPOBSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds7

About (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid

(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid (PubChem CID 23519315) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid.

Molecular Properties

Compound Name(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid
PubChem CID23519315
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)6-9(12)8(11-3)4-5-10(13)14/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyAFXQHCOLDYSCQV-QMMMGPOBSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid?
The IUPAC name of (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid (CID 23519315) is (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid.
What is the SMILES notation for (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid?
The canonical SMILES for (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid is CN[C@@H](CCC(=O)O)C(=O)CC(C)C.
What is the InChIKey of (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid?
The InChIKey is AFXQHCOLDYSCQV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-9(12)8(11-3)4-5-10(13)14/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid?
(4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methyl-4-(methylamino)-5-oxooctanoic acid is sourced from PubChem (CID 23519315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).