(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol

C11H22N4O2 — CID 58964071

IUPAC(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
SMILES[N-]=[N+]=NC[C@H](O)[C@H](O)C(N)CC1CCCCC1
InChIInChI=1S/C11H22N4O2/c12-9(6-8-4-2-1-3-5-8)11(17)10(16)7-14-15-13/h8-11,16-17H,1-7,12H2/t9?,10-,11+/m0/s1
InChIKeyFKWRQIUBLRZGDO-QXXIUIOUSA-N
MW242.32 g/mol
LogP1.32
Rot. Bonds6

About (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol

(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol (PubChem CID 58964071) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
PubChem CID58964071
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
SMILES[N-]=[N+]=NC[C@H](O)[C@H](O)C(N)CC1CCCCC1
InChIInChI=1S/C11H22N4O2/c12-9(6-8-4-2-1-3-5-8)11(17)10(16)7-14-15-13/h8-11,16-17H,1-7,12H2/t9?,10-,11+/m0/s1
InChIKeyFKWRQIUBLRZGDO-QXXIUIOUSA-N
XLogP1.32
TPSA115.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
1-azido-4-cyclohexylbutan-2-ol
CID 143558147
(1R)-2-azido-1-cyclopentylethanol
CID 83093623
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938
4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol?
The IUPAC name of (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol (CID 58964071) is (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol.
What is the SMILES notation for (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol?
The canonical SMILES for (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol is [N-]=[N+]=NC[C@H](O)[C@H](O)C(N)CC1CCCCC1.
What is the InChIKey of (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol?
The InChIKey is FKWRQIUBLRZGDO-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-9(6-8-4-2-1-3-5-8)11(17)10(16)7-14-15-13/h8-11,16-17H,1-7,12H2/t9?,10-,11+/m0/s1.
What are the key properties of (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol?
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol has a molecular weight of 242.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol is sourced from PubChem (CID 58964071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).