(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid

C12H23NO2 — CID 87482547

IUPAC(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
SMILESCC/C=C\CC(C)CC(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-10(2)7-11(9-13)8-12(14)15/h4-5,10-11H,3,6-9,13H2,1-2H3,(H,14,15)/b5-4-
InChIKeyINGBDMMBKJIDFL-PLNGDYQASA-N
MW213.32 g/mol
LogP2.42
Rot. Bonds8

About (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid

(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid (PubChem CID 87482547) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid.

Molecular Properties

Compound Name(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
PubChem CID87482547
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
SMILESCC/C=C\CC(C)CC(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-10(2)7-11(9-13)8-12(14)15/h4-5,10-11H,3,6-9,13H2,1-2H3,(H,14,15)/b5-4-
InChIKeyINGBDMMBKJIDFL-PLNGDYQASA-N
XLogP2.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
CID 57074831
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
CID 53241384
(3S,5R)-3-(aminomethyl)-5-methylheptanoic acid;ethyl acetate
CID 160547698
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
(3S)-3-(aminomethyl)-6-(fluoromethoxy)-5-methylhexanoic acid
CID 57144056
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800
(Z)-3-(aminomethyl)-5-methyloct-6-enoic acid
CID 87482642

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid?
The IUPAC name of (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid (CID 87482547) is (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid.
What is the SMILES notation for (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid?
The canonical SMILES for (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid is CC/C=C\CC(C)CC(CN)CC(=O)O.
What is the InChIKey of (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid?
The InChIKey is INGBDMMBKJIDFL-PLNGDYQASA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-10(2)7-11(9-13)8-12(14)15/h4-5,10-11H,3,6-9,13H2,1-2H3,(H,14,15)/b5-4-.
What are the key properties of (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid?
(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid is sourced from PubChem (CID 87482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).