(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid

C11H21NO2 — CID 57074831

IUPAC(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
SMILESCC=CC[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/h3-4,9-10H,5-8,12H2,1-2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyVVQCRZGVHVDBMB-YHMJZVADSA-N
MW199.29 g/mol
LogP2.03
Rot. Bonds7

About (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid

(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid (PubChem CID 57074831) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid.

Molecular Properties

Compound Name(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
PubChem CID57074831
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid
SMILESCC=CC[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/h3-4,9-10H,5-8,12H2,1-2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyVVQCRZGVHVDBMB-YHMJZVADSA-N
XLogP2.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 87482547
(Z)-3-(aminomethyl)-5-methyloct-6-enoic acid
CID 87482642
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
CID 53241384
(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
(3S)-3-(aminomethyl)-6-(fluoromethoxy)-5-methylhexanoic acid
CID 57144056
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid?
The IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid (CID 57074831) is (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid.
What is the SMILES notation for (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid?
The canonical SMILES for (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid is CC=CC[C@@H](C)CC(CN)CC(=O)O.
What is the InChIKey of (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid?
The InChIKey is VVQCRZGVHVDBMB-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-9(2)6-10(8-12)7-11(13)14/h3-4,9-10H,5-8,12H2,1-2H3,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid?
(3S,5R)-3-(aminomethyl)-5-methylnon-7-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.03, 7 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-7-enoic acid is sourced from PubChem (CID 57074831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).