(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 120788867

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-9-18-15(20)11-3-5-12(6-4-11)19-16(21)14-8-7-13(10-17)22-14;/h3-6,13-14H,2,7-10,17H2,1H3,(H,18,20)(H,19,21);1H/t13-,14+;/m1./s1
InChIKeyZPAYEHMNPQNQRA-DFQHDRSWSA-N
MW341.84 g/mol
LogP1.69
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120788867) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120788867
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-9-18-15(20)11-3-5-12(6-4-11)19-16(21)14-8-7-13(10-17)22-14;/h3-6,13-14H,2,7-10,17H2,1H3,(H,18,20)(H,19,21);1H/t13-,14+;/m1./s1
InChIKeyZPAYEHMNPQNQRA-DFQHDRSWSA-N
XLogP1.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]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

methyl 2-[[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoyl]amino]acetate
CID 120784644
(2S,5R)-5-(aminomethyl)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120799120
ethyl 4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoate
CID 120782848
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[2-[(4-bromobenzoyl)amino]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789131
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
(2S,5R)-5-(aminomethyl)-N-[4-(oxan-4-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799689
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120788867) is (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is ZPAYEHMNPQNQRA-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-2-9-18-15(20)11-3-5-12(6-4-11)19-16(21)14-8-7-13(10-17)22-14;/h3-6,13-14H,2,7-10,17H2,1H3,(H,18,20)(H,19,21);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).