(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid

C10H19NO3 — CID 14542146

IUPAC(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid
SMILESCC(C)C[C@H](N)C(=O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyXJWWFJPYTISCLD-MQWKRIRWSA-N
MW201.27 g/mol
LogP1.04
Rot. Bonds6

About (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid

(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid (PubChem CID 14542146) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid
PubChem CID14542146
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid
SMILESCC(C)C[C@H](N)C(=O)CC(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyXJWWFJPYTISCLD-MQWKRIRWSA-N
XLogP1.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid?
The IUPAC name of (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid (CID 14542146) is (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid.
What is the SMILES notation for (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid?
The canonical SMILES for (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid is CC(C)C[C@H](N)C(=O)CC(C)C(=O)O.
What is the InChIKey of (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid?
The InChIKey is XJWWFJPYTISCLD-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid?
(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid is sourced from PubChem (CID 14542146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).