(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid

C11H21NO2 — CID 57041689

IUPAC(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid
SMILESC=CCC[C@@H](C)CC(CN)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-9(2)6-10(8-12)7-11(13)14/h3,9-10H,1,4-8,12H2,2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyLFUPHGVCYOENSK-YHMJZVADSA-N
MW199.29 g/mol
LogP2.03
Rot. Bonds8

About (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid

(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid (PubChem CID 57041689) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid.

Molecular Properties

Compound Name(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid
PubChem CID57041689
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid
SMILESC=CCC[C@@H](C)CC(CN)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-9(2)6-10(8-12)7-11(13)14/h3,9-10H,1,4-8,12H2,2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyLFUPHGVCYOENSK-YHMJZVADSA-N
XLogP2.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid?
The IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid (CID 57041689) is (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid.
What is the SMILES notation for (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid?
The canonical SMILES for (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid is C=CCC[C@@H](C)CC(CN)CC(=O)O.
What is the InChIKey of (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid?
The InChIKey is LFUPHGVCYOENSK-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-9(2)6-10(8-12)7-11(13)14/h3,9-10H,1,4-8,12H2,2H3,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid?
(3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(aminomethyl)-5-methylnon-8-enoic acid is sourced from PubChem (CID 57041689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).