(3S)-3-amino-5-methylhexanoic acid

C7H15NO2 — CID 2761525

IUPAC(3S)-3-amino-5-methylhexanoic acid
SMILESCC(C)C[C@H](N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyMLYMSIKVLAPCAK-LURJTMIESA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds4

About (3S)-3-amino-5-methylhexanoic acid

(3S)-3-amino-5-methylhexanoic acid (PubChem CID 2761525) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S)-3-amino-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-5-methylhexanoic acid
PubChem CID2761525
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S)-3-amino-5-methylhexanoic acid
SMILESCC(C)C[C@H](N)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyMLYMSIKVLAPCAK-LURJTMIESA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-methylhexanoic acid?
The IUPAC name of (3S)-3-amino-5-methylhexanoic acid (CID 2761525) is (3S)-3-amino-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-amino-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-amino-5-methylhexanoic acid is CC(C)C[C@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-5-methylhexanoic acid?
The InChIKey is MLYMSIKVLAPCAK-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-5-methylhexanoic acid?
(3S)-3-amino-5-methylhexanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-methylhexanoic acid is sourced from PubChem (CID 2761525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).