(2R)-2-amino-2-methylhept-6-enoic acid

C8H15NO2 — CID 58571237

IUPAC(2R)-2-amino-2-methylhept-6-enoic acid
SMILESC=CCCC[C@@](C)(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyAERCCJGORROTKW-MRVPVSSYSA-N
MW157.21 g/mol
LogP1.14
Rot. Bonds5

About (2R)-2-amino-2-methylhept-6-enoic acid

(2R)-2-amino-2-methylhept-6-enoic acid (PubChem CID 58571237) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhept-6-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-methylhept-6-enoic acid
PubChem CID58571237
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R)-2-amino-2-methylhept-6-enoic acid
SMILESC=CCCC[C@@](C)(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyAERCCJGORROTKW-MRVPVSSYSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylhept-6-enoic acid?
The IUPAC name of (2R)-2-amino-2-methylhept-6-enoic acid (CID 58571237) is (2R)-2-amino-2-methylhept-6-enoic acid.
What is the SMILES notation for (2R)-2-amino-2-methylhept-6-enoic acid?
The canonical SMILES for (2R)-2-amino-2-methylhept-6-enoic acid is C=CCCC[C@@](C)(N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-methylhept-6-enoic acid?
The InChIKey is AERCCJGORROTKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-methylhept-6-enoic acid?
(2R)-2-amino-2-methylhept-6-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylhept-6-enoic acid is sourced from PubChem (CID 58571237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).