methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride

C15H21ClN2O4 — CID 163364958

IUPACmethyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)C2(N)CCOC2)cc1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-10(17-14(19)15(16)7-8-21-9-15)11-3-5-12(6-4-11)13(18)20-2;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19);1H/t10-,15?;/m0./s1
InChIKeyGWFQJESYBCCGFB-NAUAYZBBSA-N
MW328.80 g/mol
LogP1.19
Rot. Bonds4

About methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride

methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride (PubChem CID 163364958) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
PubChem CID163364958
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namemethyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)C2(N)CCOC2)cc1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-10(17-14(19)15(16)7-8-21-9-15)11-3-5-12(6-4-11)13(18)20-2;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19);1H/t10-,15?;/m0./s1
InChIKeyGWFQJESYBCCGFB-NAUAYZBBSA-N
XLogP1.19
TPSA90.65 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64891134
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride (CID 163364958) is methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride is COC(=O)c1ccc([C@H](C)NC(=O)C2(N)CCOC2)cc1.Cl.
What is the InChIKey of methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride?
The InChIKey is GWFQJESYBCCGFB-NAUAYZBBSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c1-10(17-14(19)15(16)7-8-21-9-15)11-3-5-12(6-4-11)13(18)20-2;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19);1H/t10-,15?;/m0./s1.
What are the key properties of methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride?
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride is sourced from PubChem (CID 163364958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).