(E,4S)-4-amino-6-methylhept-2-enoic acid

C8H15NO2 — CID 6439465

IUPAC(E,4S)-4-amino-6-methylhept-2-enoic acid
SMILESCC(C)C[C@H](N)/C=C/C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(9)3-4-8(10)11/h3-4,6-7H,5,9H2,1-2H3,(H,10,11)/b4-3+/t7-/m1/s1
InChIKeyLSOZONHCHUEHFF-KGGZQZJCSA-N
MW157.21 g/mol
LogP1.00
Rot. Bonds4

About (E,4S)-4-amino-6-methylhept-2-enoic acid

(E,4S)-4-amino-6-methylhept-2-enoic acid (PubChem CID 6439465) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E,4S)-4-amino-6-methylhept-2-enoic acid.

Molecular Properties

Compound Name(E,4S)-4-amino-6-methylhept-2-enoic acid
PubChem CID6439465
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E,4S)-4-amino-6-methylhept-2-enoic acid
SMILESCC(C)C[C@H](N)/C=C/C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(9)3-4-8(10)11/h3-4,6-7H,5,9H2,1-2H3,(H,10,11)/b4-3+/t7-/m1/s1
InChIKeyLSOZONHCHUEHFF-KGGZQZJCSA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-amino-6-methylhept-2-enoic acid?
The IUPAC name of (E,4S)-4-amino-6-methylhept-2-enoic acid (CID 6439465) is (E,4S)-4-amino-6-methylhept-2-enoic acid.
What is the SMILES notation for (E,4S)-4-amino-6-methylhept-2-enoic acid?
The canonical SMILES for (E,4S)-4-amino-6-methylhept-2-enoic acid is CC(C)C[C@H](N)/C=C/C(=O)O.
What is the InChIKey of (E,4S)-4-amino-6-methylhept-2-enoic acid?
The InChIKey is LSOZONHCHUEHFF-KGGZQZJCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-7(9)3-4-8(10)11/h3-4,6-7H,5,9H2,1-2H3,(H,10,11)/b4-3+/t7-/m1/s1.
What are the key properties of (E,4S)-4-amino-6-methylhept-2-enoic acid?
(E,4S)-4-amino-6-methylhept-2-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-amino-6-methylhept-2-enoic acid is sourced from PubChem (CID 6439465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).