(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid

C15H27N3O3 — CID 18637736

IUPAC(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-])C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)12(15(20)21)9-14(19)13(17-18-16)8-11-6-4-3-5-7-11/h10-14,19H,3-9H2,1-2H3,(H,20,21)/t12-,13-,14-/m0/s1
InChIKeyBDPADCJBVXKOFS-IHRRRGAJSA-N
MW297.40 g/mol
LogP3.74
Rot. Bonds8

About (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid

(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid (PubChem CID 18637736) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
PubChem CID18637736
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-])C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)12(15(20)21)9-14(19)13(17-18-16)8-11-6-4-3-5-7-11/h10-14,19H,3-9H2,1-2H3,(H,20,21)/t12-,13-,14-/m0/s1
InChIKeyBDPADCJBVXKOFS-IHRRRGAJSA-N
XLogP3.74
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid (CID 18637736) is (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid is CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-])C(=O)O.
What is the InChIKey of (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is BDPADCJBVXKOFS-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)12(15(20)21)9-14(19)13(17-18-16)8-11-6-4-3-5-7-11/h10-14,19H,3-9H2,1-2H3,(H,20,21)/t12-,13-,14-/m0/s1.
What are the key properties of (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
(2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-azido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 18637736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).