(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride

C14H20Cl2N2O2 — CID 120792641

IUPAC(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)[C@@H]2CC[C@H](CN)O2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-9-3-4-10(7-12(9)15)17(2)14(18)13-6-5-11(8-16)19-13;/h3-4,7,11,13H,5-6,8,16H2,1-2H3;1H/t11-,13+;/m1./s1
InChIKeyWOWVGNVFZNKRKP-YLAFAASESA-N
MW319.23 g/mol
LogP2.54
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride (PubChem CID 120792641) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride
PubChem CID120792641
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)[C@@H]2CC[C@H](CN)O2)cc1Cl.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-9-3-4-10(7-12(9)15)17(2)14(18)13-6-5-11(8-16)19-13;/h3-4,7,11,13H,5-6,8,16H2,1-2H3;1H/t11-,13+;/m1./s1
InChIKeyWOWVGNVFZNKRKP-YLAFAASESA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-ethyl-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782647
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]oxolane-2-carboxamide
CID 120787020
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787010
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
(2S,5R)-5-(aminomethyl)-N-(2,3-dimethylphenyl)-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120788019
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride (CID 120792641) is (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride is Cc1ccc(N(C)C(=O)[C@@H]2CC[C@H](CN)O2)cc1Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The InChIKey is WOWVGNVFZNKRKP-YLAFAASESA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-9-3-4-10(7-12(9)15)17(2)14(18)13-6-5-11(8-16)19-13;/h3-4,7,11,13H,5-6,8,16H2,1-2H3;1H/t11-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).