(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide

C15H26N2O2 — CID 120794960

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CC2C2CCCCC2)O1
InChIInChI=1S/C15H26N2O2/c16-9-11-6-7-14(19-11)15(18)17-13-8-12(13)10-4-2-1-3-5-10/h10-14H,1-9,16H2,(H,17,18)/t11-,12?,13?,14+/m1/s1
InChIKeyOEZCSSNSMZXPLW-RYSNWHEDSA-N
MW266.38 g/mol
LogP1.58
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide (PubChem CID 120794960) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide
PubChem CID120794960
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CC2C2CCCCC2)O1
InChIInChI=1S/C15H26N2O2/c16-9-11-6-7-14(19-11)15(18)17-13-8-12(13)10-4-2-1-3-5-10/h10-14H,1-9,16H2,(H,17,18)/t11-,12?,13?,14+/m1/s1
InChIKeyOEZCSSNSMZXPLW-RYSNWHEDSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide (CID 120794960) is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CC2C2CCCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide?
The InChIKey is OEZCSSNSMZXPLW-RYSNWHEDSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-9-11-6-7-14(19-11)15(18)17-13-8-12(13)10-4-2-1-3-5-10/h10-14H,1-9,16H2,(H,17,18)/t11-,12?,13?,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide is sourced from PubChem (CID 120794960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).