(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide

C15H18F2N2O2 — CID 120794032

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CC2c2c(F)cccc2F)O1
InChIInChI=1S/C15H18F2N2O2/c16-10-2-1-3-11(17)14(10)9-6-12(9)19-15(20)13-5-4-8(7-18)21-13/h1-3,8-9,12-13H,4-7,18H2,(H,19,20)/t8-,9?,12?,13+/m1/s1
InChIKeyNGWPQOOVUIEPJD-NFNIOBPHSA-N
MW296.32 g/mol
LogP1.44
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide (PubChem CID 120794032) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide
PubChem CID120794032
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CC2c2c(F)cccc2F)O1
InChIInChI=1S/C15H18F2N2O2/c16-10-2-1-3-11(17)14(10)9-6-12(9)19-15(20)13-5-4-8(7-18)21-13/h1-3,8-9,12-13H,4-7,18H2,(H,19,20)/t8-,9?,12?,13+/m1/s1
InChIKeyNGWPQOOVUIEPJD-NFNIOBPHSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.44
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-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide (CID 120794032) is (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CC2c2c(F)cccc2F)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The InChIKey is NGWPQOOVUIEPJD-NFNIOBPHSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-10-2-1-3-11(17)14(10)9-6-12(9)19-15(20)13-5-4-8(7-18)21-13/h1-3,8-9,12-13H,4-7,18H2,(H,19,20)/t8-,9?,12?,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.44, 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-(2,6-difluorophenyl)cyclopropyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).