(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

C14H18N2O4 — CID 120782541

About (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (PubChem CID 120782541) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
• PubChem CID: 120782541
• Molecular Formula: C14H18N2O4
• Molecular Weight: 278.31 g/mol
• Exact Mass: 278.13
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
• SMILES: NC[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)O1
• InChI: InChI=1S/C14H18N2O4/c15-8-10-2-4-12(20-10)14(17)16-9-1-3-11-13(7-9)19-6-5-18-11/h1,3,7,10,12H,2,4-6,8,15H2,(H,16,17)/t10-,12+/m1/s1
• InChIKey: NOEDTRCWZQLEPL-PWSUYJOCSA-N
• XLogP: 0.90
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.31
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (CID 120782541) is (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)O1.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?

The InChIKey is NOEDTRCWZQLEPL-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-8-10-2-4-12(20-10)14(17)16-9-1-3-11-13(7-9)19-6-5-18-11/h1,3,7,10,12H,2,4-6,8,15H2,(H,16,17)/t10-,12+/m1/s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?

(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120782541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).