(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid

C15H29NO4 — CID 5287883

IUPAC(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H29NO4/c1-9(2)12(15(19)20)14(18)13(17)11(16)8-10-6-4-3-5-7-10/h9-14,17-18H,3-8,16H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1
InChIKeyVCIPTNRIUQKMFQ-REWJHTLYSA-N
MW287.40 g/mol
LogP1.36
Rot. Bonds7

About (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid

(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid (PubChem CID 5287883) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
PubChem CID5287883
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H29NO4/c1-9(2)12(15(19)20)14(18)13(17)11(16)8-10-6-4-3-5-7-10/h9-14,17-18H,3-8,16H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1
InChIKeyVCIPTNRIUQKMFQ-REWJHTLYSA-N
XLogP1.36
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid (CID 5287883) is (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid is CC(C)[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is VCIPTNRIUQKMFQ-REWJHTLYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-9(2)12(15(19)20)14(18)13(17)11(16)8-10-6-4-3-5-7-10/h9-14,17-18H,3-8,16H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid?
(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 5287883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).