(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate

C15H21NO5 — CID 124925838

IUPAC(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate
SMILESO=C(OC1CCC(O)CC1)[C@@H](CO)NOc1ccccc1
InChIInChI=1S/C15H21NO5/c17-10-14(16-21-13-4-2-1-3-5-13)15(19)20-12-8-6-11(18)7-9-12/h1-5,11-12,14,16-18H,6-10H2/t11?,12?,14-/m1/s1
InChIKeyDJYQBHKBHPKEEL-ORHYLEIMSA-N
MW295.33 g/mol
LogP0.78
Rot. Bonds6

About (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate

(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate (PubChem CID 124925838) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate
PubChem CID124925838
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate
SMILESO=C(OC1CCC(O)CC1)[C@@H](CO)NOc1ccccc1
InChIInChI=1S/C15H21NO5/c17-10-14(16-21-13-4-2-1-3-5-13)15(19)20-12-8-6-11(18)7-9-12/h1-5,11-12,14,16-18H,6-10H2/t11?,12?,14-/m1/s1
InChIKeyDJYQBHKBHPKEEL-ORHYLEIMSA-N
XLogP0.78
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate?
The IUPAC name of (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate (CID 124925838) is (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate.
What is the SMILES notation for (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate?
The canonical SMILES for (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate is O=C(OC1CCC(O)CC1)[C@@H](CO)NOc1ccccc1.
What is the InChIKey of (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate?
The InChIKey is DJYQBHKBHPKEEL-ORHYLEIMSA-N. The full InChI is InChI=1S/C15H21NO5/c17-10-14(16-21-13-4-2-1-3-5-13)15(19)20-12-8-6-11(18)7-9-12/h1-5,11-12,14,16-18H,6-10H2/t11?,12?,14-/m1/s1.
What are the key properties of (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate?
(4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate has a molecular weight of 295.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) (2R)-3-hydroxy-2-(phenoxyamino)propanoate is sourced from PubChem (CID 124925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).