(2S,3S)-2,6-diamino-3-methylhexanoic acid

C7H16N2O2 — CID 147560820

IUPAC(2S,3S)-2,6-diamino-3-methylhexanoic acid
SMILESC[C@@H](CCCN)[C@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(3-2-4-8)6(9)7(10)11/h5-6H,2-4,8-9H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyFSPHIBLXJRNTSN-WDSKDSINSA-N
MW160.22 g/mol
LogP-0.23
Rot. Bonds5

About (2S,3S)-2,6-diamino-3-methylhexanoic acid

(2S,3S)-2,6-diamino-3-methylhexanoic acid (PubChem CID 147560820) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,3S)-2,6-diamino-3-methylhexanoic acid.

Molecular Properties

Compound Name(2S,3S)-2,6-diamino-3-methylhexanoic acid
PubChem CID147560820
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S,3S)-2,6-diamino-3-methylhexanoic acid
SMILESC[C@@H](CCCN)[C@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(3-2-4-8)6(9)7(10)11/h5-6H,2-4,8-9H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyFSPHIBLXJRNTSN-WDSKDSINSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
CID 58481212
CID 58481212
2-amino-3-methyl-5-selanylpentanoic acid
CID 173165921
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87497053
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,6-diamino-3-methylhexanoic acid?
The IUPAC name of (2S,3S)-2,6-diamino-3-methylhexanoic acid (CID 147560820) is (2S,3S)-2,6-diamino-3-methylhexanoic acid.
What is the SMILES notation for (2S,3S)-2,6-diamino-3-methylhexanoic acid?
The canonical SMILES for (2S,3S)-2,6-diamino-3-methylhexanoic acid is C[C@@H](CCCN)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2,6-diamino-3-methylhexanoic acid?
The InChIKey is FSPHIBLXJRNTSN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(3-2-4-8)6(9)7(10)11/h5-6H,2-4,8-9H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,6-diamino-3-methylhexanoic acid?
(2S,3S)-2,6-diamino-3-methylhexanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,6-diamino-3-methylhexanoic acid is sourced from PubChem (CID 147560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).