2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

C15H27N3O5 — CID 123738746

IUPAC2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
SMILESNC1CC(NC(=O)C2(O)CC2N)CC(OC2CCC(CO)O2)C1
InChIInChI=1S/C15H27N3O5/c16-8-3-9(18-14(20)15(21)6-12(15)17)5-11(4-8)23-13-2-1-10(7-19)22-13/h8-13,19,21H,1-7,16-17H2,(H,18,20)
InChIKeyZOTYWLBWBOGUQE-UHFFFAOYSA-N
MW329.40 g/mol
LogP-1.67
Rot. Bonds5

About 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 123738746) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID123738746
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide
SMILESNC1CC(NC(=O)C2(O)CC2N)CC(OC2CCC(CO)O2)C1
InChIInChI=1S/C15H27N3O5/c16-8-3-9(18-14(20)15(21)6-12(15)17)5-11(4-8)23-13-2-1-10(7-19)22-13/h8-13,19,21H,1-7,16-17H2,(H,18,20)
InChIKeyZOTYWLBWBOGUQE-UHFFFAOYSA-N
XLogP-1.67
TPSA140.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide (CID 123738746) is 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is NC1CC(NC(=O)C2(O)CC2N)CC(OC2CCC(CO)O2)C1.
What is the InChIKey of 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is ZOTYWLBWBOGUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c16-8-3-9(18-14(20)15(21)6-12(15)17)5-11(4-8)23-13-2-1-10(7-19)22-13/h8-13,19,21H,1-7,16-17H2,(H,18,20).
What are the key properties of 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of -1.67, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-amino-5-[5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 123738746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).