5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide

C12H22N2O3 — CID 107221914

IUPAC5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1
InChIInChI=1S/C12H22N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h8-11,15H,1-7,13H2,(H,14,16)/t8?,9-,10-,11?/m1/s1
InChIKeyXIHAGDFUKGTOQQ-WYNUPADASA-N
MW242.32 g/mol
LogP-0.09
Rot. Bonds3

About 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide (PubChem CID 107221914) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
PubChem CID107221914
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1
InChIInChI=1S/C12H22N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h8-11,15H,1-7,13H2,(H,14,16)/t8?,9-,10-,11?/m1/s1
InChIKeyXIHAGDFUKGTOQQ-WYNUPADASA-N
XLogP-0.09
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide (CID 107221914) is 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide is NCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)O1.
What is the InChIKey of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide?
The InChIKey is XIHAGDFUKGTOQQ-WYNUPADASA-N. The full InChI is InChI=1S/C12H22N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h8-11,15H,1-7,13H2,(H,14,16)/t8?,9-,10-,11?/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 107221914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).