(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 120794225

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2,10-4-3-5-11(16)8-10)18-14(19)13-7-6-12(9-17)20-13;/h3-5,8,12-13H,6-7,9,17H2,1-2H3,(H,18,19);1H/t12-,13+;/m1./s1
InChIKeyYHBWBHTUCPPELR-KZCZEQIWSA-N
MW333.26 g/mol
LogP2.62
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120794225) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
PubChem CID120794225
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2,10-4-3-5-11(16)8-10)18-14(19)13-7-6-12(9-17)20-13;/h3-5,8,12-13H,6-7,9,17H2,1-2H3,(H,18,19);1H/t12-,13+;/m1./s1
InChIKeyYHBWBHTUCPPELR-KZCZEQIWSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223
(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
CID 120795520
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
(2S,5R)-5-(aminomethyl)-N-[2-(2-methoxyphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120792004
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
(2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788675
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120790579
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185997
(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801708

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120794225) is (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride is CC(C)(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cccc(Cl)c1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is YHBWBHTUCPPELR-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-15(2,10-4-3-5-11(16)8-10)18-14(19)13-7-6-12(9-17)20-13;/h3-5,8,12-13H,6-7,9,17H2,1-2H3,(H,18,19);1H/t12-,13+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.62, 4 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-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120794225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).