(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride

C15H21Cl3N2O2 — CID 120790579

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-9(6-10-2-3-11(16)7-13(10)17)19-15(20)14-5-4-12(8-18)21-14;/h2-3,7,9,12,14H,4-6,8,18H2,1H3,(H,19,20);1H/t9?,12-,14+;/m1./s1
InChIKeyMBPYNPJYHSXMQF-USGWHPEOSA-N
MW367.70 g/mol
LogP2.97
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120790579) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120790579
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-9(6-10-2-3-11(16)7-13(10)17)19-15(20)14-5-4-12(8-18)21-14;/h2-3,7,9,12,14H,4-6,8,18H2,1H3,(H,19,20);1H/t9?,12-,14+;/m1./s1
InChIKeyMBPYNPJYHSXMQF-USGWHPEOSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120795188
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120790575
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
(2S,5R)-5-(aminomethyl)-N-[(4-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120792654
(2S,5R)-5-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120788549
1-[5-(aminomethyl)oxolan-2-yl]-2-(2,5-dichlorophenyl)ethanone
CID 116589208

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120790579) is (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride is CC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is MBPYNPJYHSXMQF-USGWHPEOSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c1-9(6-10-2-3-11(16)7-13(10)17)19-15(20)14-5-4-12(8-18)21-14;/h2-3,7,9,12,14H,4-6,8,18H2,1H3,(H,19,20);1H/t9?,12-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 2.97, 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-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120790579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).