4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide

C12H22N2O3 — CID 66238100

IUPAC4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-10-7-17-6-9(10)11(16)14-12(8-15)4-2-1-3-5-12/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeySUVBIKWLDODITN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.23
Rot. Bonds3

About 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide

4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 66238100) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID66238100
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-10-7-17-6-9(10)11(16)14-12(8-15)4-2-1-3-5-12/h9-10,15H,1-8,13H2,(H,14,16)
InChIKeySUVBIKWLDODITN-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide (CID 66238100) is 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide is NC1COCC1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is SUVBIKWLDODITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-10-7-17-6-9(10)11(16)14-12(8-15)4-2-1-3-5-12/h9-10,15H,1-8,13H2,(H,14,16).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).