(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride

C15H21ClN2O4 — CID 120783535

IUPAC(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC2COc3ccccc3O2)O1
InChIInChI=1S/C15H20N2O4.ClH/c16-7-10-5-6-14(20-10)15(18)17-8-11-9-19-12-3-1-2-4-13(12)21-11;/h1-4,10-11,14H,5-9,16H2,(H,17,18);1H/t10-,11?,14+;/m1./s1
InChIKeyCSKBMGZMZKTFHR-IOVXBCHQSA-N
MW328.80 g/mol
LogP0.87
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120783535) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120783535
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCC2COc3ccccc3O2)O1
InChIInChI=1S/C15H20N2O4.ClH/c16-7-10-5-6-14(20-10)15(18)17-8-11-9-19-12-3-1-2-4-13(12)21-11;/h1-4,10-11,14H,5-9,16H2,(H,17,18);1H/t10-,11?,14+;/m1./s1
InChIKeyCSKBMGZMZKTFHR-IOVXBCHQSA-N
XLogP0.87
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propyloxolane-2-carboxamide
CID 120783912
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119679860
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitroacetamide
CID 108814523
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
CID 2457171
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
trans-(1R,3R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769734
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119266213
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
CID 120800926
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride (CID 120783535) is (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NCC2COc3ccccc3O2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is CSKBMGZMZKTFHR-IOVXBCHQSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c16-7-10-5-6-14(20-10)15(18)17-8-11-9-19-12-3-1-2-4-13(12)21-11;/h1-4,10-11,14H,5-9,16H2,(H,17,18);1H/t10-,11?,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 0.87, 4 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-3-ylmethyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).