(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid

C13H25NO3 — CID 10083148

IUPAC(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid
SMILESC[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10/h9-12,15H,2-8,14H2,1H3,(H,16,17)/t9-,11+,12+/m1/s1
InChIKeyIMFGHYPPYDZMGL-USWWRNFRSA-N
MW243.35 g/mol
LogP1.76
Rot. Bonds6

About (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid

(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid (PubChem CID 10083148) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid
PubChem CID10083148
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid
SMILESC[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10/h9-12,15H,2-8,14H2,1H3,(H,16,17)/t9-,11+,12+/m1/s1
InChIKeyIMFGHYPPYDZMGL-USWWRNFRSA-N
XLogP1.76
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid?
The IUPAC name of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid (CID 10083148) is (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid.
What is the SMILES notation for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid?
The canonical SMILES for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid is C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid?
The InChIKey is IMFGHYPPYDZMGL-USWWRNFRSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10/h9-12,15H,2-8,14H2,1H3,(H,16,17)/t9-,11+,12+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid?
(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-methylhexanoic acid is sourced from PubChem (CID 10083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).