(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid

C9H19NO2 — CID 94036784

IUPAC(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
SMILESC[C@H](C[C@@H](C)N)C[C@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(5-8(3)10)4-7(2)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-,8+/m0/s1
InChIKeyAJQBGZWGIBGLFK-BIIVOSGPSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds5

About (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid

(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid (PubChem CID 94036784) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid.

Molecular Properties

Compound Name(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
PubChem CID94036784
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
SMILESC[C@H](C[C@@H](C)N)C[C@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(5-8(3)10)4-7(2)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-,8+/m0/s1
InChIKeyAJQBGZWGIBGLFK-BIIVOSGPSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methylpentanoic acid
CID 22105024
2,4,6,8-tetramethyldecanoic acid
CID 5312348
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
4,6-dimethylnonane-2,8-diamine
CID 59264321
(2R,4S)-2,4-dimethylheptanedioic acid
CID 177439281
4-amino-2-iodopentanoic acid
CID 163563587
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823
4-amino-2-methyl-5-(methylamino)pentanoic acid
CID 142843506
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
ethane;2-methylbutanoic acid
CID 87621166

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid?
The IUPAC name of (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid (CID 94036784) is (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid.
What is the SMILES notation for (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid?
The canonical SMILES for (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid is C[C@H](C[C@@H](C)N)C[C@H](C)C(=O)O.
What is the InChIKey of (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid?
The InChIKey is AJQBGZWGIBGLFK-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(5-8(3)10)4-7(2)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-,8+/m0/s1.
What are the key properties of (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid?
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid is sourced from PubChem (CID 94036784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).