(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide

C15H22N2O5 — CID 120782760

IUPAC(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O5/c1-19-12-6-9(7-13(20-2)14(12)21-3)17-15(18)11-5-4-10(8-16)22-11/h6-7,10-11H,4-5,8,16H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyWJIWBGAWHHDUHA-MNOVXSKESA-N
MW310.35 g/mol
LogP1.16
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide (PubChem CID 120782760) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
PubChem CID120782760
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O5/c1-19-12-6-9(7-13(20-2)14(12)21-3)17-15(18)11-5-4-10(8-16)22-11/h6-7,10-11H,4-5,8,16H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyWJIWBGAWHHDUHA-MNOVXSKESA-N
XLogP1.16
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide 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

(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
dimethyl 5-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 120782967
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(3,5-difluoro-4-iodophenyl)oxolane-2-carboxamide;hydrochloride
CID 120791203
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxolane-2-carboxamide
CID 120787434
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446
ethyl 4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoate
CID 120782848

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide (CID 120782760) is (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide is COc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc(OC)c1OC.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is WJIWBGAWHHDUHA-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22N2O5/c1-19-12-6-9(7-13(20-2)14(12)21-3)17-15(18)11-5-4-10(8-16)22-11/h6-7,10-11H,4-5,8,16H2,1-3H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120782760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).