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

C12H22N2O3 — CID 64891998

IUPAC3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCCC2)CCOC1
InChIInChI=1S/C12H22N2O3/c13-12(6-7-17-9-12)10(16)14-11(8-15)4-2-1-3-5-11/h15H,1-9,13H2,(H,14,16)
InChIKeyPCFOJKSFIXSADZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds3

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

3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 64891998) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID64891998
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NC2(CO)CCCCC2)CCOC1
InChIInChI=1S/C12H22N2O3/c13-12(6-7-17-9-12)10(16)14-11(8-15)4-2-1-3-5-11/h15H,1-9,13H2,(H,14,16)
InChIKeyPCFOJKSFIXSADZ-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide (CID 64891998) is 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide is NC1(C(=O)NC2(CO)CCCCC2)CCOC1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is PCFOJKSFIXSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-12(6-7-17-9-12)10(16)14-11(8-15)4-2-1-3-5-11/h15H,1-9,13H2,(H,14,16).
What are the key properties of 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide?
3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).