(3S)-3-amino-5,5-dimethylhexanoic acid

C8H17NO2 — CID 11819317

IUPAC(3S)-3-amino-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C[C@H](N)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyZBCPPTZVOXHDMT-ZCFIWIBFSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds3

About (3S)-3-amino-5,5-dimethylhexanoic acid

(3S)-3-amino-5,5-dimethylhexanoic acid (PubChem CID 11819317) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S)-3-amino-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-5,5-dimethylhexanoic acid
PubChem CID11819317
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S)-3-amino-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C[C@H](N)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyZBCPPTZVOXHDMT-ZCFIWIBFSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5,5-dimethylhexanoic acid?
The IUPAC name of (3S)-3-amino-5,5-dimethylhexanoic acid (CID 11819317) is (3S)-3-amino-5,5-dimethylhexanoic acid.
What is the SMILES notation for (3S)-3-amino-5,5-dimethylhexanoic acid?
The canonical SMILES for (3S)-3-amino-5,5-dimethylhexanoic acid is CC(C)(C)C[C@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-5,5-dimethylhexanoic acid?
The InChIKey is ZBCPPTZVOXHDMT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3S)-3-amino-5,5-dimethylhexanoic acid?
(3S)-3-amino-5,5-dimethylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5,5-dimethylhexanoic acid is sourced from PubChem (CID 11819317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).