8-amino-2-methyloct-2-enoic acid

C9H17NO2 — CID 90963841

IUPAC8-amino-2-methyloct-2-enoic acid
SMILESCC(=CCCCCCN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)6-4-2-3-5-7-10/h6H,2-5,7,10H2,1H3,(H,11,12)
InChIKeyMJXPABTZTPGMHQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.54
Rot. Bonds6

About 8-amino-2-methyloct-2-enoic acid

8-amino-2-methyloct-2-enoic acid (PubChem CID 90963841) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-amino-2-methyloct-2-enoic acid.

Molecular Properties

Compound Name8-amino-2-methyloct-2-enoic acid
PubChem CID90963841
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name8-amino-2-methyloct-2-enoic acid
SMILESCC(=CCCCCCN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)6-4-2-3-5-7-10/h6H,2-5,7,10H2,1H3,(H,11,12)
InChIKeyMJXPABTZTPGMHQ-UHFFFAOYSA-N
XLogP1.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(E)-2-methylnon-2-enedioic acid
CID 87072449
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
11-(aziridin-1-yl)-2-methylundec-2-enoic acid
CID 123246956
6-amino-2-methylhex-2-enamide
CID 54113800

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyloct-2-enoic acid?
The IUPAC name of 8-amino-2-methyloct-2-enoic acid (CID 90963841) is 8-amino-2-methyloct-2-enoic acid.
What is the SMILES notation for 8-amino-2-methyloct-2-enoic acid?
The canonical SMILES for 8-amino-2-methyloct-2-enoic acid is CC(=CCCCCCN)C(=O)O.
What is the InChIKey of 8-amino-2-methyloct-2-enoic acid?
The InChIKey is MJXPABTZTPGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(9(11)12)6-4-2-3-5-7-10/h6H,2-5,7,10H2,1H3,(H,11,12).
What are the key properties of 8-amino-2-methyloct-2-enoic acid?
8-amino-2-methyloct-2-enoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyloct-2-enoic acid is sourced from PubChem (CID 90963841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).