N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide

C18H26N2O4 — CID 75536563

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)C1CCCC1
InChIInChI=1S/C18H26N2O4/c21-15-8-4-3-7-13(15)9-19-14-11-24-16(17(14)22)10-20-18(23)12-5-1-2-6-12/h3-4,7-8,12,14,16-17,19,21-22H,1-2,5-6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyVUNPBNNYCOFATJ-OIISXLGYSA-N
MW334.42 g/mol
LogP0.92
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536563) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536563
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)C1CCCC1
InChIInChI=1S/C18H26N2O4/c21-15-8-4-3-7-13(15)9-19-14-11-24-16(17(14)22)10-20-18(23)12-5-1-2-6-12/h3-4,7-8,12,14,16-17,19,21-22H,1-2,5-6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyVUNPBNNYCOFATJ-OIISXLGYSA-N
XLogP0.92
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536563) is N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)C1CCCC1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is VUNPBNNYCOFATJ-OIISXLGYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-15-8-4-3-7-13(15)9-19-14-11-24-16(17(14)22)10-20-18(23)12-5-1-2-6-12/h3-4,7-8,12,14,16-17,19,21-22H,1-2,5-6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75536563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).