(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride

C14H19Cl3N2O2 — CID 120788603

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)O1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-3-1-2-9(13(11)16)6-7-18-14(19)12-5-4-10(8-17)20-12;/h1-3,10,12H,4-8,17H2,(H,18,19);1H/t10-,12+;/m1./s1
InChIKeyUCJVYCKGQCNOAV-IYJPBCIQSA-N
MW353.68 g/mol
LogP2.58
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120788603) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120788603
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)O1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-3-1-2-9(13(11)16)6-7-18-14(19)12-5-4-10(8-17)20-12;/h1-3,10,12H,4-8,17H2,(H,18,19);1H/t10-,12+;/m1./s1
InChIKeyUCJVYCKGQCNOAV-IYJPBCIQSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784268
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787343
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
(2S,5R)-5-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 120792678
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
(2S,5R)-5-(aminomethyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120789465
(2S,5R)-5-(aminomethyl)-N-(naphthalen-1-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120786169
4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672916
(2S,5R)-5-(aminomethyl)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide;hydrochloride
CID 120794657
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-difluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790695
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride (CID 120788603) is (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is UCJVYCKGQCNOAV-IYJPBCIQSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c15-11-3-1-2-9(13(11)16)6-7-18-14(19)12-5-4-10(8-17)20-12;/h1-3,10,12H,4-8,17H2,(H,18,19);1H/t10-,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).