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

C20H24ClFN2O4 — CID 120789983

IUPAC(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C20H23FN2O4.ClH/c1-12-3-6-17(19(9-12)25-2)27-16-7-4-13(21)10-15(16)23-20(24)18-8-5-14(11-22)26-18;/h3-4,6-7,9-10,14,18H,5,8,11,22H2,1-2H3,(H,23,24);1H/t14-,18+;/m1./s1
InChIKeyUSVCWIQDRVLRKQ-CQZNTPMBSA-N
MW410.87 g/mol
LogP3.80
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120789983) has the molecular formula C20H24ClFN2O4 and a molecular weight of 410.87 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120789983
Molecular FormulaC20H24ClFN2O4
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C20H23FN2O4.ClH/c1-12-3-6-17(19(9-12)25-2)27-16-7-4-13(21)10-15(16)23-20(24)18-8-5-14(11-22)26-18;/h3-4,6-7,9-10,14,18H,5,8,11,22H2,1-2H3,(H,23,24);1H/t14-,18+;/m1./s1
InChIKeyUSVCWIQDRVLRKQ-CQZNTPMBSA-N
XLogP3.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)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

(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304876
3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120796585
(2S,5R)-5-(aminomethyl)-N-[4-fluoro-2-(propan-2-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799679
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 120783154
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120789983) is (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride is COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is USVCWIQDRVLRKQ-CQZNTPMBSA-N. The full InChI is InChI=1S/C20H23FN2O4.ClH/c1-12-3-6-17(19(9-12)25-2)27-16-7-4-13(21)10-15(16)23-20(24)18-8-5-14(11-22)26-18;/h3-4,6-7,9-10,14,18H,5,8,11,22H2,1-2H3,(H,23,24);1H/t14-,18+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 410.87 g/mol, XLogP of 3.80, 6 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-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).